4-tert-butyl-2-(cyclobutylmethyl)pyridine;4-tert-butyl-2-(2-cyclopropylethyl)pyridine;4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-yloxy)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-4-ylethyl)pyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine

C134H193F3N16O3 — CID 158620051

IUPAC4-tert-butyl-2-(cyclobutylmethyl)pyridine;4-tert-butyl-2-(2-cyclopropylethyl)pyridine;4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-yloxy)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-4-ylethyl)pyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine
SMILESCC(C)(C)c1cc(CC2CCN(CC(F)(F)F)C2)ncn1.CC(C)(C)c1ccnc(CC2CCC2)c1.CC(C)(C)c1ccnc(CC2CCOCC2)c1.CC(C)(C)c1ccnc(CCC2CC2)c1.CC(C)(C)c1ccnc(CCc2ccccn2)c1.CC(C)(C)c1ccnc(CCc2cccnc2)c1.CC(C)(C)c1ccnc(CCc2ccncc2)c1.CC(C)(C)c1cncc(OC2CCOCC2)c1.CN(C)CCN(C)c1cc(C(C)(C)C)ccn1
InChIInChI=1S/3C16H20N2.C15H22F3N3.C15H23NO.C14H25N3.C14H21NO2.2C14H21N/c1-16(2,3)14-8-11-18-15(12-14)5-4-13-6-9-17-10-7-13;1-16(2,3)14-8-10-18-15(11-14)7-6-13-5-4-9-17-12-13;1-16(2,3)13-9-11-18-15(12-13)8-7-14-6-4-5-10-17-14;1-14(2,3)13-7-12(19-10-20-13)6-11-4-5-21(8-11)9-15(16,17)18;1-15(2,3)13-4-7-16-14(11-13)10-12-5-8-17-9-6-12;1-14(2,3)12-7-8-15-13(11-12)17(6)10-9-16(4)5;1-14(2,3)11-8-13(10-15-9-11)17-12-4-6-16-7-5-12;1-14(2,3)12-8-9-15-13(10-12)7-6-11-4-5-11;1-14(2,3)12-7-8-15-13(10-12)9-11-5-4-6-11/h6-12H,4-5H2,1-3H3;4-5,8-12H,6-7H2,1-3H3;4-6,9-12H,7-8H2,1-3H3;7,10-11H,4-6,8-9H2,1-3H3;4,7,11-12H,5-6,8-10H2,1-3H3;7-8,11H,9-10H2,1-6H3;8-10,12H,4-7H2,1-3H3;8-11H,4-7H2,1-3H3;7-8,10-11H,4-6,9H2,1-3H3
InChIKeyHXWNNHWXBRZSRT-UHFFFAOYSA-N
MW2133.12 g/mol
LogP29.98
Rot. Bonds25

About 4-tert-butyl-2-(cyclobutylmethyl)pyridine;4-tert-butyl-2-(2-cyclopropylethyl)pyridine;4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-yloxy)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-4-ylethyl)pyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine

4-tert-butyl-2-(cyclobutylmethyl)pyridine;4-tert-butyl-2-(2-cyclopropylethyl)pyridine;4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-yloxy)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-4-ylethyl)pyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine (PubChem CID 158620051) has the molecular formula C134H193F3N16O3 and a molecular weight of 2133.12 g/mol. Its IUPAC name is 4-tert-butyl-2-(cyclobutylmethyl)pyridine;4-tert-butyl-2-(2-cyclopropylethyl)pyridine;4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-yloxy)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-4-ylethyl)pyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine.

Molecular Properties

Compound Name4-tert-butyl-2-(cyclobutylmethyl)pyridine;4-tert-butyl-2-(2-cyclopropylethyl)pyridine;4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-yloxy)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-4-ylethyl)pyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine
PubChem CID158620051
Molecular FormulaC134H193F3N16O3
Molecular Weight2133.12 g/mol
Exact Mass2131.54
IUPAC Name4-tert-butyl-2-(cyclobutylmethyl)pyridine;4-tert-butyl-2-(2-cyclopropylethyl)pyridine;4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-yloxy)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-4-ylethyl)pyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine
SMILESCC(C)(C)c1cc(CC2CCN(CC(F)(F)F)C2)ncn1.CC(C)(C)c1ccnc(CC2CCC2)c1.CC(C)(C)c1ccnc(CC2CCOCC2)c1.CC(C)(C)c1ccnc(CCC2CC2)c1.CC(C)(C)c1ccnc(CCc2ccccn2)c1.CC(C)(C)c1ccnc(CCc2cccnc2)c1.CC(C)(C)c1ccnc(CCc2ccncc2)c1.CC(C)(C)c1cncc(OC2CCOCC2)c1.CN(C)CCN(C)c1cc(C(C)(C)C)ccn1
InChIInChI=1S/3C16H20N2.C15H22F3N3.C15H23NO.C14H25N3.C14H21NO2.2C14H21N/c1-16(2,3)14-8-11-18-15(12-14)5-4-13-6-9-17-10-7-13;1-16(2,3)14-8-10-18-15(11-14)7-6-13-5-4-9-17-12-13;1-16(2,3)13-9-11-18-15(12-13)8-7-14-6-4-5-10-17-14;1-14(2,3)13-7-12(19-10-20-13)6-11-4-5-21(8-11)9-15(16,17)18;1-15(2,3)13-4-7-16-14(11-13)10-12-5-8-17-9-6-12;1-14(2,3)12-7-8-15-13(11-12)17(6)10-9-16(4)5;1-14(2,3)11-8-13(10-15-9-11)17-12-4-6-16-7-5-12;1-14(2,3)12-8-9-15-13(10-12)7-6-11-4-5-11;1-14(2,3)12-7-8-15-13(10-12)9-11-5-4-6-11/h6-12H,4-5H2,1-3H3;4-5,8-12H,6-7H2,1-3H3;4-6,9-12H,7-8H2,1-3H3;7,10-11H,4-6,8-9H2,1-3H3;4,7,11-12H,5-6,8-10H2,1-3H3;7-8,11H,9-10H2,1-6H3;8-10,12H,4-7H2,1-3H3;8-11H,4-7H2,1-3H3;7-8,10-11H,4-6,9H2,1-3H3
InChIKeyHXWNNHWXBRZSRT-UHFFFAOYSA-N
XLogP29.98
TPSA204.98 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds25
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002133.12
LogP ≤ 529.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 4-tert-butyl-2-(cyclobutylmethyl)pyridine;4-tert-butyl-2-(2-cyclopropylethyl)pyridine;4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-yloxy)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-4-ylethyl)pyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine with MolForge

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Related Compounds

4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine
CID 71085908
5-(2-fluoropyridin-4-yl)-4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidine
CID 76280988
2,2,2-trifluoro-1-(5-(4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidin-5-yl)pyridin-2-yl)ethanol (R or S)
CID 76283269
2,2-difluoro-1-(5-(4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidin-5-yl)pyridin-2-yl)ethanol (R or S)
CID 76283764
5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-(1-phenylethoxy)pyridin-2-amine
CID 117688570
(3S)-4-[7-(5-methoxy-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 59703526
5-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-[[(1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidine
CID 71085889
3-(Difluoromethoxy)-5-[2-(3,3-difluoropyrrolidin-1-yl)-6-(3-morpholino-cis-cyclobutyl)pyrimidin-4-yl]pyridin-2-amine
CID 117688558
5-[2-(azetidin-1-yl)-6-[(1R,5S)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 117688588
3-(difluoromethoxy)-5-[2-ethyl-6-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrimidin-4-yl]pyridin-2-amine
CID 117688596
3-(difluoromethoxy)-5-[2-ethyl-6-[(1S,5R)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrimidin-4-yl]pyridin-2-amine
CID 117688616
5-[2-cyclopropyl-6-[(1S,5R)-3-[(3-methyloxetan-3-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 117688620

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(cyclobutylmethyl)pyridine;4-tert-butyl-2-(2-cyclopropylethyl)pyridine;4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-yloxy)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-4-ylethyl)pyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine?
The IUPAC name of 4-tert-butyl-2-(cyclobutylmethyl)pyridine;4-tert-butyl-2-(2-cyclopropylethyl)pyridine;4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-yloxy)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-4-ylethyl)pyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine (CID 158620051) is 4-tert-butyl-2-(cyclobutylmethyl)pyridine;4-tert-butyl-2-(2-cyclopropylethyl)pyridine;4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-yloxy)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-4-ylethyl)pyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine.
What is the SMILES notation for 4-tert-butyl-2-(cyclobutylmethyl)pyridine;4-tert-butyl-2-(2-cyclopropylethyl)pyridine;4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-yloxy)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-4-ylethyl)pyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine?
The canonical SMILES for 4-tert-butyl-2-(cyclobutylmethyl)pyridine;4-tert-butyl-2-(2-cyclopropylethyl)pyridine;4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-yloxy)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-4-ylethyl)pyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine is CC(C)(C)c1cc(CC2CCN(CC(F)(F)F)C2)ncn1.CC(C)(C)c1ccnc(CC2CCC2)c1.CC(C)(C)c1ccnc(CC2CCOCC2)c1.CC(C)(C)c1ccnc(CCC2CC2)c1.CC(C)(C)c1ccnc(CCc2ccccn2)c1.CC(C)(C)c1ccnc(CCc2cccnc2)c1.CC(C)(C)c1ccnc(CCc2ccncc2)c1.CC(C)(C)c1cncc(OC2CCOCC2)c1.CN(C)CCN(C)c1cc(C(C)(C)C)ccn1.
What is the InChIKey of 4-tert-butyl-2-(cyclobutylmethyl)pyridine;4-tert-butyl-2-(2-cyclopropylethyl)pyridine;4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-yloxy)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-4-ylethyl)pyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine?
The InChIKey is HXWNNHWXBRZSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C16H20N2.C15H22F3N3.C15H23NO.C14H25N3.C14H21NO2.2C14H21N/c1-16(2,3)14-8-11-18-15(12-14)5-4-13-6-9-17-10-7-13;1-16(2,3)14-8-10-18-15(11-14)7-6-13-5-4-9-17-12-13;1-16(2,3)13-9-11-18-15(12-13)8-7-14-6-4-5-10-17-14;1-14(2,3)13-7-12(19-10-20-13)6-11-4-5-21(8-11)9-15(16,17)18;1-15(2,3)13-4-7-16-14(11-13)10-12-5-8-17-9-6-12;1-14(2,3)12-7-8-15-13(11-12)17(6)10-9-16(4)5;1-14(2,3)11-8-13(10-15-9-11)17-12-4-6-16-7-5-12;1-14(2,3)12-8-9-15-13(10-12)7-6-11-4-5-11;1-14(2,3)12-7-8-15-13(10-12)9-11-5-4-6-11/h6-12H,4-5H2,1-3H3;4-5,8-12H,6-7H2,1-3H3;4-6,9-12H,7-8H2,1-3H3;7,10-11H,4-6,8-9H2,1-3H3;4,7,11-12H,5-6,8-10H2,1-3H3;7-8,11H,9-10H2,1-6H3;8-10,12H,4-7H2,1-3H3;8-11H,4-7H2,1-3H3;7-8,10-11H,4-6,9H2,1-3H3.
What are the key properties of 4-tert-butyl-2-(cyclobutylmethyl)pyridine;4-tert-butyl-2-(2-cyclopropylethyl)pyridine;4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-yloxy)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-4-ylethyl)pyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine?
4-tert-butyl-2-(cyclobutylmethyl)pyridine;4-tert-butyl-2-(2-cyclopropylethyl)pyridine;4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-yloxy)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-4-ylethyl)pyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine has a molecular weight of 2133.12 g/mol, XLogP of 29.98, 25 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(cyclobutylmethyl)pyridine;4-tert-butyl-2-(2-cyclopropylethyl)pyridine;4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-yloxy)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-4-ylethyl)pyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine is sourced from PubChem (CID 158620051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).