[(3S,4S)-4-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-3-hydroxypiperidin-1-yl]-pyridin-2-ylmethanone

C18H24N6O3 — CID 164631983

IUPAC[(3S,4S)-4-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-3-hydroxypiperidin-1-yl]-pyridin-2-ylmethanone
SMILESCC(C)Oc1cc(N[C@H]2CCN(C(=O)c3ccccn3)C[C@@H]2O)nc(N)n1
InChIInChI=1S/C18H24N6O3/c1-11(2)27-16-9-15(22-18(19)23-16)21-12-6-8-24(10-14(12)25)17(26)13-5-3-4-7-20-13/h3-5,7,9,11-12,14,25H,6,8,10H2,1-2H3,(H3,19,21,22,23)/t12-,14-/m0/s1
InChIKeyOZQFRNTZKOHSFR-JSGCOSHPSA-N
MW372.43 g/mol
LogP0.93
Rot. Bonds5

About [(3S,4S)-4-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-3-hydroxypiperidin-1-yl]-pyridin-2-ylmethanone

[(3S,4S)-4-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-3-hydroxypiperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 164631983) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is [(3S,4S)-4-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-3-hydroxypiperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(3S,4S)-4-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-3-hydroxypiperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID164631983
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Name[(3S,4S)-4-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-3-hydroxypiperidin-1-yl]-pyridin-2-ylmethanone
SMILESCC(C)Oc1cc(N[C@H]2CCN(C(=O)c3ccccn3)C[C@@H]2O)nc(N)n1
InChIInChI=1S/C18H24N6O3/c1-11(2)27-16-9-15(22-18(19)23-16)21-12-6-8-24(10-14(12)25)17(26)13-5-3-4-7-20-13/h3-5,7,9,11-12,14,25H,6,8,10H2,1-2H3,(H3,19,21,22,23)/t12-,14-/m0/s1
InChIKeyOZQFRNTZKOHSFR-JSGCOSHPSA-N
XLogP0.93
TPSA126.49 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [(3S,4S)-4-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-3-hydroxypiperidin-1-yl]-pyridin-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Auglurant
CID 60168069
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-(2-hydroxy-2-methylpropoxy)-2-methylpyrimidin-4-yl]amino]pyridine-2-carboxamide
CID 118733353
6-methyl-N-(6-methyl-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197614
N-(4-fluoro-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197712
N-(6-fluoro-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197713
N-(5-fluoro-2-pyridinyl)-6-methyl-4-(2-methylpyrimidin-5-yl)oxypyridine-2-carboxamide
CID 60197716
N-(6-ethyl-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197937
4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-pyrimidin-2-ylpiperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide
CID 45487396
[5-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methoxy-2-pyridinyl]-morpholin-4-ylmethanone
CID 71451849
N-methyl-4-[4-[(4-piperidin-1-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide
CID 164611034
6-methyl-4-(oxan-4-yloxy)-N-pyridin-2-ylpyridine-2-carboxamide
CID 118613057
N-methyl-4-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide
CID 164618873

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-3-hydroxypiperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(3S,4S)-4-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-3-hydroxypiperidin-1-yl]-pyridin-2-ylmethanone (CID 164631983) is [(3S,4S)-4-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-3-hydroxypiperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(3S,4S)-4-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-3-hydroxypiperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(3S,4S)-4-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-3-hydroxypiperidin-1-yl]-pyridin-2-ylmethanone is CC(C)Oc1cc(N[C@H]2CCN(C(=O)c3ccccn3)C[C@@H]2O)nc(N)n1.
What is the InChIKey of [(3S,4S)-4-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-3-hydroxypiperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is OZQFRNTZKOHSFR-JSGCOSHPSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-11(2)27-16-9-15(22-18(19)23-16)21-12-6-8-24(10-14(12)25)17(26)13-5-3-4-7-20-13/h3-5,7,9,11-12,14,25H,6,8,10H2,1-2H3,(H3,19,21,22,23)/t12-,14-/m0/s1.
What are the key properties of [(3S,4S)-4-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-3-hydroxypiperidin-1-yl]-pyridin-2-ylmethanone?
[(3S,4S)-4-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-3-hydroxypiperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 372.43 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-3-hydroxypiperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 164631983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).