bis(2,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;bis(4-[4,6-di(propan-2-yl)-2-pyridinyl]morpholine);4,6-di(propan-2-yl)pyrimidine;4-[4,6-di(propan-2-yl)pyrimidin-2-yl]morpholine

C87H138N12O3 — CID 159075134

IUPACbis(2,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;bis(4-[4,6-di(propan-2-yl)-2-pyridinyl]morpholine);4,6-di(propan-2-yl)pyrimidine;4-[4,6-di(propan-2-yl)pyrimidin-2-yl]morpholine
SMILESCC(C)c1cc(C(C)C)nc(N2CCOCC2)c1.CC(C)c1cc(C(C)C)nc(N2CCOCC2)c1.CC(C)c1cc(C(C)C)nc(N2CCOCC2)n1.CC(C)c1cc(C(C)C)ncn1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1cncc(C(C)C)c1
InChIInChI=1S/2C15H24N2O.C14H23N3O.3C11H17N.C10H16N2/c2*1-11(2)13-9-14(12(3)4)16-15(10-13)17-5-7-18-8-6-17;1-10(2)12-9-13(11(3)4)16-14(15-12)17-5-7-18-8-6-17;1-8(2)10-5-11(9(3)4)7-12-6-10;2*1-8(2)10-5-6-12-11(7-10)9(3)4;1-7(2)9-5-10(8(3)4)12-6-11-9/h2*9-12H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;3*5-9H,1-4H3;5-8H,1-4H3
InChIKeyKADPSNHISDJRTP-UHFFFAOYSA-N
MW1400.14 g/mol
LogP21.60
Rot. Bonds17

About bis(2,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;bis(4-[4,6-di(propan-2-yl)-2-pyridinyl]morpholine);4,6-di(propan-2-yl)pyrimidine;4-[4,6-di(propan-2-yl)pyrimidin-2-yl]morpholine

bis(2,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;bis(4-[4,6-di(propan-2-yl)-2-pyridinyl]morpholine);4,6-di(propan-2-yl)pyrimidine;4-[4,6-di(propan-2-yl)pyrimidin-2-yl]morpholine (PubChem CID 159075134) has the molecular formula C87H138N12O3 and a molecular weight of 1400.14 g/mol. Its IUPAC name is bis(2,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;bis(4-[4,6-di(propan-2-yl)-2-pyridinyl]morpholine);4,6-di(propan-2-yl)pyrimidine;4-[4,6-di(propan-2-yl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Namebis(2,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;bis(4-[4,6-di(propan-2-yl)-2-pyridinyl]morpholine);4,6-di(propan-2-yl)pyrimidine;4-[4,6-di(propan-2-yl)pyrimidin-2-yl]morpholine
PubChem CID159075134
Molecular FormulaC87H138N12O3
Molecular Weight1400.14 g/mol
Exact Mass1399.10
IUPAC Namebis(2,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;bis(4-[4,6-di(propan-2-yl)-2-pyridinyl]morpholine);4,6-di(propan-2-yl)pyrimidine;4-[4,6-di(propan-2-yl)pyrimidin-2-yl]morpholine
SMILESCC(C)c1cc(C(C)C)nc(N2CCOCC2)c1.CC(C)c1cc(C(C)C)nc(N2CCOCC2)c1.CC(C)c1cc(C(C)C)nc(N2CCOCC2)n1.CC(C)c1cc(C(C)C)ncn1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1cncc(C(C)C)c1
InChIInChI=1S/2C15H24N2O.C14H23N3O.3C11H17N.C10H16N2/c2*1-11(2)13-9-14(12(3)4)16-15(10-13)17-5-7-18-8-6-17;1-10(2)12-9-13(11(3)4)16-14(15-12)17-5-7-18-8-6-17;1-8(2)10-5-11(9(3)4)7-12-6-10;2*1-8(2)10-5-6-12-11(7-10)9(3)4;1-7(2)9-5-10(8(3)4)12-6-11-9/h2*9-12H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;3*5-9H,1-4H3;5-8H,1-4H3
InChIKeyKADPSNHISDJRTP-UHFFFAOYSA-N
XLogP21.60
TPSA153.42 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001400.14
LogP ≤ 521.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze bis(2,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;bis(4-[4,6-di(propan-2-yl)-2-pyridinyl]morpholine);4,6-di(propan-2-yl)pyrimidine;4-[4,6-di(propan-2-yl)pyrimidin-2-yl]morpholine with MolForge

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Related Compounds

3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine
CID 161232846
2-propan-2-yl-4-[5-(5-propan-2-yl-3-pyridinyl)hexan-2-yl]pyridine
CID 155097626
4-propan-2-yl-6-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]pyrimidine
CID 130227799
4-(5-propan-2-yl-3-pyridinyl)-1,4-oxazepane
CID 58563215
2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carbonitrile
CID 39248129
4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 20750181
ethane;4-(6-propan-2-yl-2-pyridinyl)morpholine
CID 177361862
2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine
CID 122532873
4-[4-(4-methyl-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]morpholine
CID 174958810
4-morpholin-4-yl-6-propan-2-ylpyrimidine-2-carbaldehyde
CID 83896564
6-morpholin-4-yl-N-[(1R)-1-pyridin-4-ylethyl]pyrimidin-4-amine
CID 124626033
4-[2-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 146074332

Frequently Asked Questions

What is the IUPAC name of bis(2,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;bis(4-[4,6-di(propan-2-yl)-2-pyridinyl]morpholine);4,6-di(propan-2-yl)pyrimidine;4-[4,6-di(propan-2-yl)pyrimidin-2-yl]morpholine?
The IUPAC name of bis(2,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;bis(4-[4,6-di(propan-2-yl)-2-pyridinyl]morpholine);4,6-di(propan-2-yl)pyrimidine;4-[4,6-di(propan-2-yl)pyrimidin-2-yl]morpholine (CID 159075134) is bis(2,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;bis(4-[4,6-di(propan-2-yl)-2-pyridinyl]morpholine);4,6-di(propan-2-yl)pyrimidine;4-[4,6-di(propan-2-yl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for bis(2,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;bis(4-[4,6-di(propan-2-yl)-2-pyridinyl]morpholine);4,6-di(propan-2-yl)pyrimidine;4-[4,6-di(propan-2-yl)pyrimidin-2-yl]morpholine?
The canonical SMILES for bis(2,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;bis(4-[4,6-di(propan-2-yl)-2-pyridinyl]morpholine);4,6-di(propan-2-yl)pyrimidine;4-[4,6-di(propan-2-yl)pyrimidin-2-yl]morpholine is CC(C)c1cc(C(C)C)nc(N2CCOCC2)c1.CC(C)c1cc(C(C)C)nc(N2CCOCC2)c1.CC(C)c1cc(C(C)C)nc(N2CCOCC2)n1.CC(C)c1cc(C(C)C)ncn1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1cncc(C(C)C)c1.
What is the InChIKey of bis(2,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;bis(4-[4,6-di(propan-2-yl)-2-pyridinyl]morpholine);4,6-di(propan-2-yl)pyrimidine;4-[4,6-di(propan-2-yl)pyrimidin-2-yl]morpholine?
The InChIKey is KADPSNHISDJRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H24N2O.C14H23N3O.3C11H17N.C10H16N2/c2*1-11(2)13-9-14(12(3)4)16-15(10-13)17-5-7-18-8-6-17;1-10(2)12-9-13(11(3)4)16-14(15-12)17-5-7-18-8-6-17;1-8(2)10-5-11(9(3)4)7-12-6-10;2*1-8(2)10-5-6-12-11(7-10)9(3)4;1-7(2)9-5-10(8(3)4)12-6-11-9/h2*9-12H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;3*5-9H,1-4H3;5-8H,1-4H3.
What are the key properties of bis(2,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;bis(4-[4,6-di(propan-2-yl)-2-pyridinyl]morpholine);4,6-di(propan-2-yl)pyrimidine;4-[4,6-di(propan-2-yl)pyrimidin-2-yl]morpholine?
bis(2,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;bis(4-[4,6-di(propan-2-yl)-2-pyridinyl]morpholine);4,6-di(propan-2-yl)pyrimidine;4-[4,6-di(propan-2-yl)pyrimidin-2-yl]morpholine has a molecular weight of 1400.14 g/mol, XLogP of 21.60, 17 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;bis(4-[4,6-di(propan-2-yl)-2-pyridinyl]morpholine);4,6-di(propan-2-yl)pyrimidine;4-[4,6-di(propan-2-yl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 159075134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).