(3S)-1-[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidin-3-ol

C16H27N5O — CID 97188302

IUPAC(3S)-1-[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidin-3-ol
SMILESCNc1cc(C)nc(N2CCC(N3CCC[C@H](O)C3)CC2)n1
InChIInChI=1S/C16H27N5O/c1-12-10-15(17-2)19-16(18-12)20-8-5-13(6-9-20)21-7-3-4-14(22)11-21/h10,13-14,22H,3-9,11H2,1-2H3,(H,17,18,19)/t14-/m0/s1
InChIKeyXKVKTBCOPNVHFD-AWEZNQCLSA-N
MW305.43 g/mol
LogP1.25
Rot. Bonds3

About (3S)-1-[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidin-3-ol

(3S)-1-[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidin-3-ol (PubChem CID 97188302) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is (3S)-1-[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidin-3-ol
PubChem CID97188302
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name(3S)-1-[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidin-3-ol
SMILESCNc1cc(C)nc(N2CCC(N3CCC[C@H](O)C3)CC2)n1
InChIInChI=1S/C16H27N5O/c1-12-10-15(17-2)19-16(18-12)20-8-5-13(6-9-20)21-7-3-4-14(22)11-21/h10,13-14,22H,3-9,11H2,1-2H3,(H,17,18,19)/t14-/m0/s1
InChIKeyXKVKTBCOPNVHFD-AWEZNQCLSA-N
XLogP1.25
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S)-1-[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidin-3-ol with MolForge

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Related Compounds

[(3R)-1-[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95552563
[(3S)-1-[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95552562
(6S)-4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,4-oxazepan-6-ol
CID 97283173
(3S)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-ol
CID 39801992
[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 72920814
[(3S)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95554392
N-cyclopropyl-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 56865488
1-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]piperidin-3-ol
CID 45252722
(3R)-1-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]piperidin-3-ol
CID 95208997
2-(3,5-dimethylpiperidin-1-yl)-N,6-dimethylpyrimidin-4-amine
CID 56724753
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,6-dimethylpyrimidin-4-amine
CID 95969720
1-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]piperidin-3-ol
CID 70705789

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidin-3-ol?
The IUPAC name of (3S)-1-[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidin-3-ol (CID 97188302) is (3S)-1-[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidin-3-ol is CNc1cc(C)nc(N2CCC(N3CCC[C@H](O)C3)CC2)n1.
What is the InChIKey of (3S)-1-[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidin-3-ol?
The InChIKey is XKVKTBCOPNVHFD-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H27N5O/c1-12-10-15(17-2)19-16(18-12)20-8-5-13(6-9-20)21-7-3-4-14(22)11-21/h10,13-14,22H,3-9,11H2,1-2H3,(H,17,18,19)/t14-/m0/s1.
What are the key properties of (3S)-1-[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidin-3-ol?
(3S)-1-[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidin-3-ol has a molecular weight of 305.43 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 97188302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).