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

C16H24N6O — CID 95122705

IUPAC(3S)-1-[2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]pyrimidin-4-yl]piperidin-3-ol
SMILESCc1nccn1CCN(C)c1nccc(N2CCC[C@H](O)C2)n1
InChIInChI=1S/C16H24N6O/c1-13-17-7-9-21(13)11-10-20(2)16-18-6-5-15(19-16)22-8-3-4-14(23)12-22/h5-7,9,14,23H,3-4,8,10-12H2,1-2H3/t14-/m0/s1
InChIKeyCKAMPRHKXULREK-AWEZNQCLSA-N
MW316.41 g/mol
LogP1.08
Rot. Bonds5

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

(3S)-1-[2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]pyrimidin-4-yl]piperidin-3-ol (PubChem CID 95122705) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is (3S)-1-[2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]pyrimidin-4-yl]piperidin-3-ol
PubChem CID95122705
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name(3S)-1-[2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]pyrimidin-4-yl]piperidin-3-ol
SMILESCc1nccn1CCN(C)c1nccc(N2CCC[C@H](O)C2)n1
InChIInChI=1S/C16H24N6O/c1-13-17-7-9-21(13)11-10-20(2)16-18-6-5-15(19-16)22-8-3-4-14(23)12-22/h5-7,9,14,23H,3-4,8,10-12H2,1-2H3/t14-/m0/s1
InChIKeyCKAMPRHKXULREK-AWEZNQCLSA-N
XLogP1.08
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3S)-1-[2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]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
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
1-[2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 50951354
1-[2-[2-(diethylamino)ethylamino]pyrimidin-4-yl]piperidin-3-ol
CID 50955286
1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol
CID 53485967
1-[2-[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 50951418
(3R)-1-[2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 98740871
(3S)-1-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95220506
(3S)-1-[2-[(2,3-difluoro-4-methylphenyl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95122099
N-methyl-2-(2-methylimidazol-1-yl)-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 124982829

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of (3S)-1-[2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]pyrimidin-4-yl]piperidin-3-ol (CID 95122705) is (3S)-1-[2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]pyrimidin-4-yl]piperidin-3-ol is Cc1nccn1CCN(C)c1nccc(N2CCC[C@H](O)C2)n1.
What is the InChIKey of (3S)-1-[2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is CKAMPRHKXULREK-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N6O/c1-13-17-7-9-21(13)11-10-20(2)16-18-6-5-15(19-16)22-8-3-4-14(23)12-22/h5-7,9,14,23H,3-4,8,10-12H2,1-2H3/t14-/m0/s1.
What are the key properties of (3S)-1-[2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]pyrimidin-4-yl]piperidin-3-ol?
(3S)-1-[2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 316.41 g/mol, XLogP of 1.08, 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-[2-(2-methylimidazol-1-yl)ethyl]amino]pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 95122705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).