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

C15H22N6O — CID 95142756

IUPAC(3S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol
SMILESCN(Cc1nccn1C)c1nccc(N2CCC[C@H](O)C2)n1
InChIInChI=1S/C15H22N6O/c1-19-9-7-16-14(19)11-20(2)15-17-6-5-13(18-15)21-8-3-4-12(22)10-21/h5-7,9,12,22H,3-4,8,10-11H2,1-2H3/t12-/m0/s1
InChIKeyGGQPIBUIDBKLLR-LBPRGKRZSA-N
MW302.38 g/mol
LogP0.81
Rot. Bonds4

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

(3S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol (PubChem CID 95142756) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is (3S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol
PubChem CID95142756
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name(3S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol
SMILESCN(Cc1nccn1C)c1nccc(N2CCC[C@H](O)C2)n1
InChIInChI=1S/C15H22N6O/c1-19-9-7-16-14(19)11-20(2)15-17-6-5-13(18-15)21-8-3-4-12(22)10-21/h5-7,9,12,22H,3-4,8,10-11H2,1-2H3/t12-/m0/s1
InChIKeyGGQPIBUIDBKLLR-LBPRGKRZSA-N
XLogP0.81
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-1-[2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]pyrimidin-4-yl]piperidin-3-ol
CID 95122705
1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 50963891
(3S)-1-[2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95121742
(3S)-1-[2-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol
CID 97273821
(3R)-1-[2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 98740871
1-[2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 50951354
1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol
CID 53485967
[1-[6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133431923
4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine
CID 107541978
(3S)-1-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95220506
1-[2-[2-(diethylamino)ethylamino]pyrimidin-4-yl]piperidin-3-ol
CID 50955286
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidine-4-carbothioamide
CID 107547407

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of (3S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol (CID 95142756) is (3S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol is CN(Cc1nccn1C)c1nccc(N2CCC[C@H](O)C2)n1.
What is the InChIKey of (3S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is GGQPIBUIDBKLLR-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N6O/c1-19-9-7-16-14(19)11-20(2)15-17-6-5-13(18-15)21-8-3-4-12(22)10-21/h5-7,9,12,22H,3-4,8,10-11H2,1-2H3/t12-/m0/s1.
What are the key properties of (3S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol?
(3S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 302.38 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 95142756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).