6-methyl-N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-2-pyridin-2-ylpyrimidin-4-amine

C22H24N4O — CID 95785042

IUPAC6-methyl-N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1ccc([C@H]2OCCC[C@@H]2Nc2cc(C)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C22H24N4O/c1-15-8-10-17(11-9-15)21-18(7-5-13-27-21)25-20-14-16(2)24-22(26-20)19-6-3-4-12-23-19/h3-4,6,8-12,14,18,21H,5,7,13H2,1-2H3,(H,24,25,26)/t18-,21+/m0/s1
InChIKeyULKIPKORGFDYQL-GHTZIAJQSA-N
MW360.46 g/mol
LogP4.49
Rot. Bonds4

About 6-methyl-N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-2-pyridin-2-ylpyrimidin-4-amine

6-methyl-N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 95785042) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 6-methyl-N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID95785042
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name6-methyl-N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1ccc([C@H]2OCCC[C@@H]2Nc2cc(C)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C22H24N4O/c1-15-8-10-17(11-9-15)21-18(7-5-13-27-21)25-20-14-16(2)24-22(26-20)19-6-3-4-12-23-19/h3-4,6,8-12,14,18,21H,5,7,13H2,1-2H3,(H,24,25,26)/t18-,21+/m0/s1
InChIKeyULKIPKORGFDYQL-GHTZIAJQSA-N
XLogP4.49
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-2-pyridin-2-ylpyrimidin-4-amine (CID 95785042) is 6-methyl-N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-2-pyridin-2-ylpyrimidin-4-amine is Cc1ccc([C@H]2OCCC[C@@H]2Nc2cc(C)nc(-c3ccccn3)n2)cc1.
What is the InChIKey of 6-methyl-N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is ULKIPKORGFDYQL-GHTZIAJQSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15-8-10-17(11-9-15)21-18(7-5-13-27-21)25-20-14-16(2)24-22(26-20)19-6-3-4-12-23-19/h3-4,6,8-12,14,18,21H,5,7,13H2,1-2H3,(H,24,25,26)/t18-,21+/m0/s1.
What are the key properties of 6-methyl-N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-2-pyridin-2-ylpyrimidin-4-amine?
6-methyl-N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 360.46 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 95785042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).