(3S)-1-[2-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol

C20H24N6O — CID 97273821

IUPAC(3S)-1-[2-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol
SMILESCN(Cc1cccc(-n2cccn2)c1)c1nccc(N2CCC[C@H](O)C2)n1
InChIInChI=1S/C20H24N6O/c1-24(14-16-5-2-6-17(13-16)26-12-4-9-22-26)20-21-10-8-19(23-20)25-11-3-7-18(27)15-25/h2,4-6,8-10,12-13,18,27H,3,7,11,14-15H2,1H3/t18-/m0/s1
InChIKeyIVFMLHIFKFLPNY-SFHVURJKSA-N
MW364.45 g/mol
LogP2.26
Rot. Bonds5

About (3S)-1-[2-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol

(3S)-1-[2-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol (PubChem CID 97273821) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is (3S)-1-[2-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[2-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol
PubChem CID97273821
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name(3S)-1-[2-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol
SMILESCN(Cc1cccc(-n2cccn2)c1)c1nccc(N2CCC[C@H](O)C2)n1
InChIInChI=1S/C20H24N6O/c1-24(14-16-5-2-6-17(13-16)26-12-4-9-22-26)20-21-10-8-19(23-20)25-11-3-7-18(27)15-25/h2,4-6,8-10,12-13,18,27H,3,7,11,14-15H2,1H3/t18-/m0/s1
InChIKeyIVFMLHIFKFLPNY-SFHVURJKSA-N
XLogP2.26
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3S)-1-[2-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol with MolForge

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Related Compounds

(3S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol
CID 95142756
(3S)-1-[2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95121742
1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 50963891
3-[[methyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]methyl]phenol
CID 71906647
(3S)-1-[2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]pyrimidin-4-yl]piperidin-3-ol
CID 95122705
1-[2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 50951354
(3S)-1-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95220506
(3R)-1-[2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 98740871
3-[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]benzoic acid
CID 77084816
3-chloro-6-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyridine-2-carboxylic acid
CID 72863298
1-[2-[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 50951418
N-benzyl-4-(4-benzylpiperazin-1-yl)-N-methylpyrimidin-2-amine
CID 112890975

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of (3S)-1-[2-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol (CID 97273821) is (3S)-1-[2-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[2-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[2-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol is CN(Cc1cccc(-n2cccn2)c1)c1nccc(N2CCC[C@H](O)C2)n1.
What is the InChIKey of (3S)-1-[2-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is IVFMLHIFKFLPNY-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N6O/c1-24(14-16-5-2-6-17(13-16)26-12-4-9-22-26)20-21-10-8-19(23-20)25-11-3-7-18(27)15-25/h2,4-6,8-10,12-13,18,27H,3,7,11,14-15H2,1H3/t18-/m0/s1.
What are the key properties of (3S)-1-[2-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol?
(3S)-1-[2-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 364.45 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 97273821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).