6-tert-butyl-N-(2-ethylsulfanylethyl)pyrimidin-4-amine;4-tert-butyl-6-[(3-methoxycyclobutyl)methyl]pyrimidine;4-tert-butyl-6-[[3-(2-methoxyethoxy)cyclobutyl]methyl]pyrimidine;6-tert-butyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine;4-tert-butyl-6-(3-methylsulfonylpropyl)pyrimidine;4-tert-butyl-6-(2-oxaspiro[3.3]heptan-6-ylmethyl)pyrimidine;bis(3-N-(6-tert-butylpyrimidin-4-yl)-1-N,1-N-bis(2-methoxyethyl)cyclobutane-1,3-diamine);4-[3-[(6-tert-butylpyrimidin-4-yl)methyl]cyclobutyl]morpholine

C133H221N25O11S3 — CID 160682133

IUPAC6-tert-butyl-N-(2-ethylsulfanylethyl)pyrimidin-4-amine;4-tert-butyl-6-[(3-methoxycyclobutyl)methyl]pyrimidine;4-tert-butyl-6-[[3-(2-methoxyethoxy)cyclobutyl]methyl]pyrimidine;6-tert-butyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine;4-tert-butyl-6-(3-methylsulfonylpropyl)pyrimidine;4-tert-butyl-6-(2-oxaspiro[3.3]heptan-6-ylmethyl)pyrimidine;bis(3-N-(6-tert-butylpyrimidin-4-yl)-1-N,1-N-bis(2-methoxyethyl)cyclobutane-1,3-diamine);4-[3-[(6-tert-butylpyrimidin-4-yl)methyl]cyclobutyl]morpholine
SMILESCC(C)(C)c1cc(CC2CC(N3CCOCC3)C2)ncn1.CC(C)(C)c1cc(CC2CC3(COC3)C2)ncn1.CC(C)(C)c1cc(CCCS(C)(=O)=O)ncn1.CCSCCNc1cc(C(C)(C)C)ncn1.COC1CC(Cc2cc(C(C)(C)C)ncn2)C1.COCCN(CCOC)C1CC(Nc2cc(C(C)(C)C)ncn2)C1.COCCN(CCOC)C1CC(Nc2cc(C(C)(C)C)ncn2)C1.COCCOC1CC(Cc2cc(C(C)(C)C)ncn2)C1.CSCCNc1cc(C(C)(C)C)ncn1
InChIInChI=1S/2C18H32N4O2.C17H27N3O.C16H26N2O2.C15H22N2O.C14H22N2O.C12H21N3S.C12H20N2O2S.C11H19N3S/c2*1-18(2,3)16-12-17(20-13-19-16)21-14-10-15(11-14)22(6-8-23-4)7-9-24-5;1-17(2,3)16-11-14(18-12-19-16)8-13-9-15(10-13)20-4-6-21-7-5-20;1-16(2,3)15-10-13(17-11-18-15)7-12-8-14(9-12)20-6-5-19-4;1-14(2,3)13-5-12(16-10-17-13)4-11-6-15(7-11)8-18-9-15;1-14(2,3)13-8-11(15-9-16-13)5-10-6-12(7-10)17-4;1-5-16-7-6-13-11-8-10(12(2,3)4)14-9-15-11;1-12(2,3)11-8-10(13-9-14-11)6-5-7-17(4,15)16;1-11(2,3)9-7-10(14-8-13-9)12-5-6-15-4/h2*12-15H,6-11H2,1-5H3,(H,19,20,21);11-13,15H,4-10H2,1-3H3;10-12,14H,5-9H2,1-4H3;5,10-11H,4,6-9H2,1-3H3;8-10,12H,5-7H2,1-4H3;8-9H,5-7H2,1-4H3,(H,13,14,15);8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyROHAUIGPAXBGPQ-UHFFFAOYSA-N
MW2442.60 g/mol
LogP22.53
Rot. Bonds45

About 6-tert-butyl-N-(2-ethylsulfanylethyl)pyrimidin-4-amine;4-tert-butyl-6-[(3-methoxycyclobutyl)methyl]pyrimidine;4-tert-butyl-6-[[3-(2-methoxyethoxy)cyclobutyl]methyl]pyrimidine;6-tert-butyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine;4-tert-butyl-6-(3-methylsulfonylpropyl)pyrimidine;4-tert-butyl-6-(2-oxaspiro[3.3]heptan-6-ylmethyl)pyrimidine;bis(3-N-(6-tert-butylpyrimidin-4-yl)-1-N,1-N-bis(2-methoxyethyl)cyclobutane-1,3-diamine);4-[3-[(6-tert-butylpyrimidin-4-yl)methyl]cyclobutyl]morpholine

6-tert-butyl-N-(2-ethylsulfanylethyl)pyrimidin-4-amine;4-tert-butyl-6-[(3-methoxycyclobutyl)methyl]pyrimidine;4-tert-butyl-6-[[3-(2-methoxyethoxy)cyclobutyl]methyl]pyrimidine;6-tert-butyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine;4-tert-butyl-6-(3-methylsulfonylpropyl)pyrimidine;4-tert-butyl-6-(2-oxaspiro[3.3]heptan-6-ylmethyl)pyrimidine;bis(3-N-(6-tert-butylpyrimidin-4-yl)-1-N,1-N-bis(2-methoxyethyl)cyclobutane-1,3-diamine);4-[3-[(6-tert-butylpyrimidin-4-yl)methyl]cyclobutyl]morpholine (PubChem CID 160682133) has the molecular formula C133H221N25O11S3 and a molecular weight of 2442.60 g/mol. Its IUPAC name is 6-tert-butyl-N-(2-ethylsulfanylethyl)pyrimidin-4-amine;4-tert-butyl-6-[(3-methoxycyclobutyl)methyl]pyrimidine;4-tert-butyl-6-[[3-(2-methoxyethoxy)cyclobutyl]methyl]pyrimidine;6-tert-butyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine;4-tert-butyl-6-(3-methylsulfonylpropyl)pyrimidine;4-tert-butyl-6-(2-oxaspiro[3.3]heptan-6-ylmethyl)pyrimidine;bis(3-N-(6-tert-butylpyrimidin-4-yl)-1-N,1-N-bis(2-methoxyethyl)cyclobutane-1,3-diamine);4-[3-[(6-tert-butylpyrimidin-4-yl)methyl]cyclobutyl]morpholine.

Molecular Properties

Compound Name6-tert-butyl-N-(2-ethylsulfanylethyl)pyrimidin-4-amine;4-tert-butyl-6-[(3-methoxycyclobutyl)methyl]pyrimidine;4-tert-butyl-6-[[3-(2-methoxyethoxy)cyclobutyl]methyl]pyrimidine;6-tert-butyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine;4-tert-butyl-6-(3-methylsulfonylpropyl)pyrimidine;4-tert-butyl-6-(2-oxaspiro[3.3]heptan-6-ylmethyl)pyrimidine;bis(3-N-(6-tert-butylpyrimidin-4-yl)-1-N,1-N-bis(2-methoxyethyl)cyclobutane-1,3-diamine);4-[3-[(6-tert-butylpyrimidin-4-yl)methyl]cyclobutyl]morpholine
PubChem CID160682133
Molecular FormulaC133H221N25O11S3
Molecular Weight2442.60 g/mol
Exact Mass2440.67
IUPAC Name6-tert-butyl-N-(2-ethylsulfanylethyl)pyrimidin-4-amine;4-tert-butyl-6-[(3-methoxycyclobutyl)methyl]pyrimidine;4-tert-butyl-6-[[3-(2-methoxyethoxy)cyclobutyl]methyl]pyrimidine;6-tert-butyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine;4-tert-butyl-6-(3-methylsulfonylpropyl)pyrimidine;4-tert-butyl-6-(2-oxaspiro[3.3]heptan-6-ylmethyl)pyrimidine;bis(3-N-(6-tert-butylpyrimidin-4-yl)-1-N,1-N-bis(2-methoxyethyl)cyclobutane-1,3-diamine);4-[3-[(6-tert-butylpyrimidin-4-yl)methyl]cyclobutyl]morpholine
SMILESCC(C)(C)c1cc(CC2CC(N3CCOCC3)C2)ncn1.CC(C)(C)c1cc(CC2CC3(COC3)C2)ncn1.CC(C)(C)c1cc(CCCS(C)(=O)=O)ncn1.CCSCCNc1cc(C(C)(C)C)ncn1.COC1CC(Cc2cc(C(C)(C)C)ncn2)C1.COCCN(CCOC)C1CC(Nc2cc(C(C)(C)C)ncn2)C1.COCCN(CCOC)C1CC(Nc2cc(C(C)(C)C)ncn2)C1.COCCOC1CC(Cc2cc(C(C)(C)C)ncn2)C1.CSCCNc1cc(C(C)(C)C)ncn1
InChIInChI=1S/2C18H32N4O2.C17H27N3O.C16H26N2O2.C15H22N2O.C14H22N2O.C12H21N3S.C12H20N2O2S.C11H19N3S/c2*1-18(2,3)16-12-17(20-13-19-16)21-14-10-15(11-14)22(6-8-23-4)7-9-24-5;1-17(2,3)16-11-14(18-12-19-16)8-13-9-15(10-13)20-4-6-21-7-5-20;1-16(2,3)15-10-13(17-11-18-15)7-12-8-14(9-12)20-6-5-19-4;1-14(2,3)13-5-12(16-10-17-13)4-11-6-15(7-11)8-18-9-15;1-14(2,3)13-8-11(15-9-16-13)5-10-6-12(7-10)17-4;1-5-16-7-6-13-11-8-10(12(2,3)4)14-9-15-11;1-12(2,3)11-8-10(13-9-14-11)6-5-7-17(4,15)16;1-11(2,3)9-7-10(14-8-13-9)12-5-6-15-4/h2*12-15H,6-11H2,1-5H3,(H,19,20,21);11-13,15H,4-10H2,1-3H3;10-12,14H,5-9H2,1-4H3;5,10-11H,4,6-9H2,1-3H3;8-10,12H,5-7H2,1-4H3;8-9H,5-7H2,1-4H3,(H,13,14,15);8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyROHAUIGPAXBGPQ-UHFFFAOYSA-N
XLogP22.53
TPSA407.07 Ų
H-Bond Donors4
H-Bond Acceptors38
Rotatable Bonds45
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002442.60
LogP ≤ 522.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-tert-butyl-N-(2-ethylsulfanylethyl)pyrimidin-4-amine;4-tert-butyl-6-[(3-methoxycyclobutyl)methyl]pyrimidine;4-tert-butyl-6-[[3-(2-methoxyethoxy)cyclobutyl]methyl]pyrimidine;6-tert-butyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine;4-tert-butyl-6-(3-methylsulfonylpropyl)pyrimidine;4-tert-butyl-6-(2-oxaspiro[3.3]heptan-6-ylmethyl)pyrimidine;bis(3-N-(6-tert-butylpyrimidin-4-yl)-1-N,1-N-bis(2-methoxyethyl)cyclobutane-1,3-diamine);4-[3-[(6-tert-butylpyrimidin-4-yl)methyl]cyclobutyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-(2-ethylsulfanylethyl)pyrimidin-4-amine;4-tert-butyl-6-[(3-methoxycyclobutyl)methyl]pyrimidine;4-tert-butyl-6-[[3-(2-methoxyethoxy)cyclobutyl]methyl]pyrimidine;6-tert-butyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine;4-tert-butyl-6-(3-methylsulfonylpropyl)pyrimidine;4-tert-butyl-6-(2-oxaspiro[3.3]heptan-6-ylmethyl)pyrimidine;bis(3-N-(6-tert-butylpyrimidin-4-yl)-1-N,1-N-bis(2-methoxyethyl)cyclobutane-1,3-diamine);4-[3-[(6-tert-butylpyrimidin-4-yl)methyl]cyclobutyl]morpholine?
The IUPAC name of 6-tert-butyl-N-(2-ethylsulfanylethyl)pyrimidin-4-amine;4-tert-butyl-6-[(3-methoxycyclobutyl)methyl]pyrimidine;4-tert-butyl-6-[[3-(2-methoxyethoxy)cyclobutyl]methyl]pyrimidine;6-tert-butyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine;4-tert-butyl-6-(3-methylsulfonylpropyl)pyrimidine;4-tert-butyl-6-(2-oxaspiro[3.3]heptan-6-ylmethyl)pyrimidine;bis(3-N-(6-tert-butylpyrimidin-4-yl)-1-N,1-N-bis(2-methoxyethyl)cyclobutane-1,3-diamine);4-[3-[(6-tert-butylpyrimidin-4-yl)methyl]cyclobutyl]morpholine (CID 160682133) is 6-tert-butyl-N-(2-ethylsulfanylethyl)pyrimidin-4-amine;4-tert-butyl-6-[(3-methoxycyclobutyl)methyl]pyrimidine;4-tert-butyl-6-[[3-(2-methoxyethoxy)cyclobutyl]methyl]pyrimidine;6-tert-butyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine;4-tert-butyl-6-(3-methylsulfonylpropyl)pyrimidine;4-tert-butyl-6-(2-oxaspiro[3.3]heptan-6-ylmethyl)pyrimidine;bis(3-N-(6-tert-butylpyrimidin-4-yl)-1-N,1-N-bis(2-methoxyethyl)cyclobutane-1,3-diamine);4-[3-[(6-tert-butylpyrimidin-4-yl)methyl]cyclobutyl]morpholine.
What is the SMILES notation for 6-tert-butyl-N-(2-ethylsulfanylethyl)pyrimidin-4-amine;4-tert-butyl-6-[(3-methoxycyclobutyl)methyl]pyrimidine;4-tert-butyl-6-[[3-(2-methoxyethoxy)cyclobutyl]methyl]pyrimidine;6-tert-butyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine;4-tert-butyl-6-(3-methylsulfonylpropyl)pyrimidine;4-tert-butyl-6-(2-oxaspiro[3.3]heptan-6-ylmethyl)pyrimidine;bis(3-N-(6-tert-butylpyrimidin-4-yl)-1-N,1-N-bis(2-methoxyethyl)cyclobutane-1,3-diamine);4-[3-[(6-tert-butylpyrimidin-4-yl)methyl]cyclobutyl]morpholine?
The canonical SMILES for 6-tert-butyl-N-(2-ethylsulfanylethyl)pyrimidin-4-amine;4-tert-butyl-6-[(3-methoxycyclobutyl)methyl]pyrimidine;4-tert-butyl-6-[[3-(2-methoxyethoxy)cyclobutyl]methyl]pyrimidine;6-tert-butyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine;4-tert-butyl-6-(3-methylsulfonylpropyl)pyrimidine;4-tert-butyl-6-(2-oxaspiro[3.3]heptan-6-ylmethyl)pyrimidine;bis(3-N-(6-tert-butylpyrimidin-4-yl)-1-N,1-N-bis(2-methoxyethyl)cyclobutane-1,3-diamine);4-[3-[(6-tert-butylpyrimidin-4-yl)methyl]cyclobutyl]morpholine is CC(C)(C)c1cc(CC2CC(N3CCOCC3)C2)ncn1.CC(C)(C)c1cc(CC2CC3(COC3)C2)ncn1.CC(C)(C)c1cc(CCCS(C)(=O)=O)ncn1.CCSCCNc1cc(C(C)(C)C)ncn1.COC1CC(Cc2cc(C(C)(C)C)ncn2)C1.COCCN(CCOC)C1CC(Nc2cc(C(C)(C)C)ncn2)C1.COCCN(CCOC)C1CC(Nc2cc(C(C)(C)C)ncn2)C1.COCCOC1CC(Cc2cc(C(C)(C)C)ncn2)C1.CSCCNc1cc(C(C)(C)C)ncn1.
What is the InChIKey of 6-tert-butyl-N-(2-ethylsulfanylethyl)pyrimidin-4-amine;4-tert-butyl-6-[(3-methoxycyclobutyl)methyl]pyrimidine;4-tert-butyl-6-[[3-(2-methoxyethoxy)cyclobutyl]methyl]pyrimidine;6-tert-butyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine;4-tert-butyl-6-(3-methylsulfonylpropyl)pyrimidine;4-tert-butyl-6-(2-oxaspiro[3.3]heptan-6-ylmethyl)pyrimidine;bis(3-N-(6-tert-butylpyrimidin-4-yl)-1-N,1-N-bis(2-methoxyethyl)cyclobutane-1,3-diamine);4-[3-[(6-tert-butylpyrimidin-4-yl)methyl]cyclobutyl]morpholine?
The InChIKey is ROHAUIGPAXBGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H32N4O2.C17H27N3O.C16H26N2O2.C15H22N2O.C14H22N2O.C12H21N3S.C12H20N2O2S.C11H19N3S/c2*1-18(2,3)16-12-17(20-13-19-16)21-14-10-15(11-14)22(6-8-23-4)7-9-24-5;1-17(2,3)16-11-14(18-12-19-16)8-13-9-15(10-13)20-4-6-21-7-5-20;1-16(2,3)15-10-13(17-11-18-15)7-12-8-14(9-12)20-6-5-19-4;1-14(2,3)13-5-12(16-10-17-13)4-11-6-15(7-11)8-18-9-15;1-14(2,3)13-8-11(15-9-16-13)5-10-6-12(7-10)17-4;1-5-16-7-6-13-11-8-10(12(2,3)4)14-9-15-11;1-12(2,3)11-8-10(13-9-14-11)6-5-7-17(4,15)16;1-11(2,3)9-7-10(14-8-13-9)12-5-6-15-4/h2*12-15H,6-11H2,1-5H3,(H,19,20,21);11-13,15H,4-10H2,1-3H3;10-12,14H,5-9H2,1-4H3;5,10-11H,4,6-9H2,1-3H3;8-10,12H,5-7H2,1-4H3;8-9H,5-7H2,1-4H3,(H,13,14,15);8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3,(H,12,13,14).
What are the key properties of 6-tert-butyl-N-(2-ethylsulfanylethyl)pyrimidin-4-amine;4-tert-butyl-6-[(3-methoxycyclobutyl)methyl]pyrimidine;4-tert-butyl-6-[[3-(2-methoxyethoxy)cyclobutyl]methyl]pyrimidine;6-tert-butyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine;4-tert-butyl-6-(3-methylsulfonylpropyl)pyrimidine;4-tert-butyl-6-(2-oxaspiro[3.3]heptan-6-ylmethyl)pyrimidine;bis(3-N-(6-tert-butylpyrimidin-4-yl)-1-N,1-N-bis(2-methoxyethyl)cyclobutane-1,3-diamine);4-[3-[(6-tert-butylpyrimidin-4-yl)methyl]cyclobutyl]morpholine?
6-tert-butyl-N-(2-ethylsulfanylethyl)pyrimidin-4-amine;4-tert-butyl-6-[(3-methoxycyclobutyl)methyl]pyrimidine;4-tert-butyl-6-[[3-(2-methoxyethoxy)cyclobutyl]methyl]pyrimidine;6-tert-butyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine;4-tert-butyl-6-(3-methylsulfonylpropyl)pyrimidine;4-tert-butyl-6-(2-oxaspiro[3.3]heptan-6-ylmethyl)pyrimidine;bis(3-N-(6-tert-butylpyrimidin-4-yl)-1-N,1-N-bis(2-methoxyethyl)cyclobutane-1,3-diamine);4-[3-[(6-tert-butylpyrimidin-4-yl)methyl]cyclobutyl]morpholine has a molecular weight of 2442.60 g/mol, XLogP of 22.53, 45 rotatable bonds, 4 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-(2-ethylsulfanylethyl)pyrimidin-4-amine;4-tert-butyl-6-[(3-methoxycyclobutyl)methyl]pyrimidine;4-tert-butyl-6-[[3-(2-methoxyethoxy)cyclobutyl]methyl]pyrimidine;6-tert-butyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine;4-tert-butyl-6-(3-methylsulfonylpropyl)pyrimidine;4-tert-butyl-6-(2-oxaspiro[3.3]heptan-6-ylmethyl)pyrimidine;bis(3-N-(6-tert-butylpyrimidin-4-yl)-1-N,1-N-bis(2-methoxyethyl)cyclobutane-1,3-diamine);4-[3-[(6-tert-butylpyrimidin-4-yl)methyl]cyclobutyl]morpholine is sourced from PubChem (CID 160682133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).