N-(5-methyl-2-pyridinyl)-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-2-amine

C23H27N5 — CID 95837498

IUPACN-(5-methyl-2-pyridinyl)-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-2-amine
SMILESCc1ccc(Nc2nccc([C@H]3CCCN(CCc4ccccc4)C3)n2)nc1
InChIInChI=1S/C23H27N5/c1-18-9-10-22(25-16-18)27-23-24-13-11-21(26-23)20-8-5-14-28(17-20)15-12-19-6-3-2-4-7-19/h2-4,6-7,9-11,13,16,20H,5,8,12,14-15,17H2,1H3,(H,24,25,26,27)/t20-/m0/s1
InChIKeyBNWOQFZXWMGBAI-FQEVSTJZSA-N
MW373.50 g/mol
LogP4.35
Rot. Bonds6

About N-(5-methyl-2-pyridinyl)-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-2-amine

N-(5-methyl-2-pyridinyl)-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-2-amine (PubChem CID 95837498) has the molecular formula C23H27N5 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-2-amine
PubChem CID95837498
Molecular FormulaC23H27N5
Molecular Weight373.50 g/mol
Exact Mass373.23
IUPAC NameN-(5-methyl-2-pyridinyl)-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-2-amine
SMILESCc1ccc(Nc2nccc([C@H]3CCCN(CCc4ccccc4)C3)n2)nc1
InChIInChI=1S/C23H27N5/c1-18-9-10-22(25-16-18)27-23-24-13-11-21(26-23)20-8-5-14-28(17-20)15-12-19-6-3-2-4-7-19/h2-4,6-7,9-11,13,16,20H,5,8,12,14-15,17H2,1H3,(H,24,25,26,27)/t20-/m0/s1
InChIKeyBNWOQFZXWMGBAI-FQEVSTJZSA-N
XLogP4.35
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(N-methylanilino)-1-[(3S)-3-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]butan-1-one
CID 95838022
1-[4-[3-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110267424
1-[4-[(3S)-3-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 95837942
3-phenyl-1-[(3R)-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 124947397
2-(2-methylimidazol-1-yl)-6-[1-(2-phenylethyl)piperidin-3-yl]pyridine
CID 110266022
2-[(3R)-3-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanol
CID 95827934
3-phenyl-1-[(3S)-3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 125017259
4-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-N-pyrimidin-2-ylpyrimidin-2-amine
CID 95837499
(3R)-3-(5-methyl-1H-imidazol-2-yl)-1-(2-phenylethyl)piperidine
CID 125014452
N-[6-[(3S)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 95835954
5-[2-methyl-6-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine
CID 95813876
(2-fluorophenyl)-[3-[2-(4-methylanilino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 53139994

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-(5-methyl-2-pyridinyl)-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-2-amine (CID 95837498) is N-(5-methyl-2-pyridinyl)-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-2-amine is Cc1ccc(Nc2nccc([C@H]3CCCN(CCc4ccccc4)C3)n2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is BNWOQFZXWMGBAI-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H27N5/c1-18-9-10-22(25-16-18)27-23-24-13-11-21(26-23)20-8-5-14-28(17-20)15-12-19-6-3-2-4-7-19/h2-4,6-7,9-11,13,16,20H,5,8,12,14-15,17H2,1H3,(H,24,25,26,27)/t20-/m0/s1.
What are the key properties of N-(5-methyl-2-pyridinyl)-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-2-amine?
N-(5-methyl-2-pyridinyl)-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 373.50 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 95837498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).