2-methyl-6-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine

C21H26N6O — CID 86342271

IUPAC2-methyl-6-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine
SMILESCc1ccnc(Nc2cc(C3CCCN(Cc4coc(C)n4)C3)nc(C)n2)c1
InChIInChI=1S/C21H26N6O/c1-14-6-7-22-20(9-14)26-21-10-19(23-15(2)24-21)17-5-4-8-27(11-17)12-18-13-28-16(3)25-18/h6-7,9-10,13,17H,4-5,8,11-12H2,1-3H3,(H,22,23,24,26)
InChIKeyWPGUUMYYACGSAV-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.91
Rot. Bonds5

About 2-methyl-6-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine

2-methyl-6-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine (PubChem CID 86342271) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-methyl-6-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine
PubChem CID86342271
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name2-methyl-6-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine
SMILESCc1ccnc(Nc2cc(C3CCCN(Cc4coc(C)n4)C3)nc(C)n2)c1
InChIInChI=1S/C21H26N6O/c1-14-6-7-22-20(9-14)26-21-10-19(23-15(2)24-21)17-5-4-8-27(11-17)12-18-13-28-16(3)25-18/h6-7,9-10,13,17H,4-5,8,11-12H2,1-3H3,(H,22,23,24,26)
InChIKeyWPGUUMYYACGSAV-UHFFFAOYSA-N
XLogP3.91
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine (CID 86342271) is 2-methyl-6-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine is Cc1ccnc(Nc2cc(C3CCCN(Cc4coc(C)n4)C3)nc(C)n2)c1.
What is the InChIKey of 2-methyl-6-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine?
The InChIKey is WPGUUMYYACGSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-14-6-7-22-20(9-14)26-21-10-19(23-15(2)24-21)17-5-4-8-27(11-17)12-18-13-28-16(3)25-18/h6-7,9-10,13,17H,4-5,8,11-12H2,1-3H3,(H,22,23,24,26).
What are the key properties of 2-methyl-6-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine?
2-methyl-6-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine has a molecular weight of 378.48 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 86342271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).