6-[(3S)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine

C24H29N5O — CID 92561407

IUPAC6-[(3S)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCNc1cc([C@H]2CCCN(Cc3cccc(C)c3OC)C2)nc(-c2cccnc2)n1
InChIInChI=1S/C24H29N5O/c1-17-7-4-8-20(23(17)30-3)16-29-12-6-10-19(15-29)21-13-22(25-2)28-24(27-21)18-9-5-11-26-14-18/h4-5,7-9,11,13-14,19H,6,10,12,15-16H2,1-3H3,(H,25,27,28)/t19-/m0/s1
InChIKeyIZJIVIQCEJQDMO-IBGZPJMESA-N
MW403.53 g/mol
LogP4.28
Rot. Bonds6

About 6-[(3S)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine

6-[(3S)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 92561407) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 6-[(3S)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3S)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID92561407
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name6-[(3S)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCNc1cc([C@H]2CCCN(Cc3cccc(C)c3OC)C2)nc(-c2cccnc2)n1
InChIInChI=1S/C24H29N5O/c1-17-7-4-8-20(23(17)30-3)16-29-12-6-10-19(15-29)21-13-22(25-2)28-24(27-21)18-9-5-11-26-14-18/h4-5,7-9,11,13-14,19H,6,10,12,15-16H2,1-3H3,(H,25,27,28)/t19-/m0/s1
InChIKeyIZJIVIQCEJQDMO-IBGZPJMESA-N
XLogP4.28
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(3S)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine with MolForge

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Related Compounds

6-[(3S)-1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-3-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 92610408
2-(3-methoxyphenyl)-1-[(3S)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92610382
2,2-dimethyl-1-[(3R)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 92551701
6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 92604505
1-[4-[(3S)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 92548954
6-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 110243871
[3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110239982
2-(2-fluorophenoxy)-1-[3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110240019
6-[(3R)-1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 92606924
6-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 92610436
6-[(3R)-1-[[3-[(dimethylamino)methyl]-4-methoxyphenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 124960098
[3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110239936

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of 6-[(3S)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine (CID 92561407) is 6-[(3S)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[(3S)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for 6-[(3S)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine is CNc1cc([C@H]2CCCN(Cc3cccc(C)c3OC)C2)nc(-c2cccnc2)n1.
What is the InChIKey of 6-[(3S)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is IZJIVIQCEJQDMO-IBGZPJMESA-N. The full InChI is InChI=1S/C24H29N5O/c1-17-7-4-8-20(23(17)30-3)16-29-12-6-10-19(15-29)21-13-22(25-2)28-24(27-21)18-9-5-11-26-14-18/h4-5,7-9,11,13-14,19H,6,10,12,15-16H2,1-3H3,(H,25,27,28)/t19-/m0/s1.
What are the key properties of 6-[(3S)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine?
6-[(3S)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 403.53 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 92561407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).