trans-(1S,2S)-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclohexan-1-ol

C15H24N4O — CID 133495426

IUPACtrans-(1S,2S)-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1Nc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C15H24N4O/c20-13-7-3-2-6-12(13)18-14-10-15(17-11-16-14)19-8-4-1-5-9-19/h10-13,20H,1-9H2,(H,16,17,18)/t12-,13-/m0/s1
InChIKeyCPFWWVWKYLGRED-STQMWFEESA-N
MW276.38 g/mol
LogP2.18
Rot. Bonds3

About trans-(1S,2S)-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclohexan-1-ol

trans-(1S,2S)-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclohexan-1-ol (PubChem CID 133495426) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclohexan-1-ol
PubChem CID133495426
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Nametrans-(1S,2S)-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1Nc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C15H24N4O/c20-13-7-3-2-6-12(13)18-14-10-15(17-11-16-14)19-8-4-1-5-9-19/h10-13,20H,1-9H2,(H,16,17,18)/t12-,13-/m0/s1
InChIKeyCPFWWVWKYLGRED-STQMWFEESA-N
XLogP2.18
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze trans-(1S,2S)-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclohexan-1-ol with MolForge

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Related Compounds

N-(6-piperidin-1-ylpyrimidin-4-yl)cyclopentanecarboxamide
CID 90544433
1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-ol
CID 115265259
[6-(azepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80927859
1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-ol
CID 66569760
N-cycloheptyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863363
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
formic acid;N-[(3R,4S)-3-methoxyoxan-4-yl]-6-piperidin-1-ylpyrimidin-4-amine
CID 154915734
methyl 4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylate
CID 91827802
cis-ethyl (1R,3S)-3-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxylate
CID 154755479
[1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 115265154
4-[6-(cyclopentylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112855829
N-cyclopentyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112855879

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclohexan-1-ol (CID 133495426) is trans-(1S,2S)-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1Nc1cc(N2CCCCC2)ncn1.
What is the InChIKey of trans-(1S,2S)-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is CPFWWVWKYLGRED-STQMWFEESA-N. The full InChI is InChI=1S/C15H24N4O/c20-13-7-3-2-6-12(13)18-14-10-15(17-11-16-14)19-8-4-1-5-9-19/h10-13,20H,1-9H2,(H,16,17,18)/t12-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclohexan-1-ol?
trans-(1S,2S)-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 276.38 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 133495426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).