6-[(3S)-1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-3-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine

C21H27N5O — CID 92610408

IUPAC6-[(3S)-1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-3-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCNc1cc([C@H]2CCCN(CC3=CCCOC3)C2)nc(-c2cccnc2)n1
InChIInChI=1S/C21H27N5O/c1-22-20-11-19(24-21(25-20)17-6-2-8-23-12-17)18-7-3-9-26(14-18)13-16-5-4-10-27-15-16/h2,5-6,8,11-12,18H,3-4,7,9-10,13-15H2,1H3,(H,22,24,25)/t18-/m0/s1
InChIKeyYAULDPLOTNKGKX-SFHVURJKSA-N
MW365.48 g/mol
LogP3.11
Rot. Bonds5

About 6-[(3S)-1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-3-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine

6-[(3S)-1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-3-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 92610408) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 6-[(3S)-1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-3-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3S)-1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-3-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID92610408
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name6-[(3S)-1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-3-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCNc1cc([C@H]2CCCN(CC3=CCCOC3)C2)nc(-c2cccnc2)n1
InChIInChI=1S/C21H27N5O/c1-22-20-11-19(24-21(25-20)17-6-2-8-23-12-17)18-7-3-9-26(14-18)13-16-5-4-10-27-15-16/h2,5-6,8,11-12,18H,3-4,7,9-10,13-15H2,1H3,(H,22,24,25)/t18-/m0/s1
InChIKeyYAULDPLOTNKGKX-SFHVURJKSA-N
XLogP3.11
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-[(3S)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 92561407
2,2-dimethyl-1-[(3R)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 92551701
1-[4-[(3S)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 92548954
[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
2-(3-methoxyphenyl)-1-[(3S)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92610382
[3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110239936
(5-chloro-1-benzofuran-2-yl)-[(3S)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 92610390
6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 92604505
6-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 110243871
6-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 92606935
(4R)-4-[4-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 92579246

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-3-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of 6-[(3S)-1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-3-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine (CID 92610408) is 6-[(3S)-1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-3-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[(3S)-1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-3-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for 6-[(3S)-1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-3-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine is CNc1cc([C@H]2CCCN(CC3=CCCOC3)C2)nc(-c2cccnc2)n1.
What is the InChIKey of 6-[(3S)-1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-3-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is YAULDPLOTNKGKX-SFHVURJKSA-N. The full InChI is InChI=1S/C21H27N5O/c1-22-20-11-19(24-21(25-20)17-6-2-8-23-12-17)18-7-3-9-26(14-18)13-16-5-4-10-27-15-16/h2,5-6,8,11-12,18H,3-4,7,9-10,13-15H2,1H3,(H,22,24,25)/t18-/m0/s1.
What are the key properties of 6-[(3S)-1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-3-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine?
6-[(3S)-1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-3-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 365.48 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-3-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 92610408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).