4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol

C23H32N4O2 — CID 162898305

IUPAC4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol
SMILESOCC1C(O)CC(NCC2CCCCC2)C1Cc1ccnc(-c2cccnc2)n1
InChIInChI=1S/C23H32N4O2/c28-15-20-19(21(12-22(20)29)26-13-16-5-2-1-3-6-16)11-18-8-10-25-23(27-18)17-7-4-9-24-14-17/h4,7-10,14,16,19-22,26,28-29H,1-3,5-6,11-13,15H2
InChIKeyJXUBJTNCLGIIGI-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.61
Rot. Bonds7

About 4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol

4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol (PubChem CID 162898305) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol
PubChem CID162898305
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol
SMILESOCC1C(O)CC(NCC2CCCCC2)C1Cc1ccnc(-c2cccnc2)n1
InChIInChI=1S/C23H32N4O2/c28-15-20-19(21(12-22(20)29)26-13-16-5-2-1-3-6-16)11-18-8-10-25-23(27-18)17-7-4-9-24-14-17/h4,7-10,14,16,19-22,26,28-29H,1-3,5-6,11-13,15H2
InChIKeyJXUBJTNCLGIIGI-UHFFFAOYSA-N
XLogP2.61
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol with MolForge

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Related Compounds

2-(hydroxymethyl)-4-(pyridin-3-ylmethylamino)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol
CID 162790413
4-(2,2-dimethylpropylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol
CID 163031054
4-[(3-chlorophenyl)methylamino]-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol
CID 162790708
4-(3,3-dimethylbutylamino)-2-(hydroxymethyl)-3-[(2-methylpyrimidin-4-yl)methyl]cyclopentan-1-ol
CID 163039429
N-(pyridin-3-ylmethyl)-N-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine
CID 46955768
N-(cyclohexylmethyl)pyridin-3-amine;dihydrochloride
CID 76854141
cis-(1S,2R)-2-(cyclohexylmethylamino)cyclohexan-1-ol
CID 51614343
trans-(1S,2S)-2-(cyclohexylmethylamino)cyclohexan-1-ol
CID 11615431
4-(cyclopentylmethyl)-2-pyridin-3-yl-1,3-thiazole
CID 67547913
N-[(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine
CID 114245322
3-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol
CID 107921995
2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide
CID 9408204

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol?
The IUPAC name of 4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol (CID 162898305) is 4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for 4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol is OCC1C(O)CC(NCC2CCCCC2)C1Cc1ccnc(-c2cccnc2)n1.
What is the InChIKey of 4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol?
The InChIKey is JXUBJTNCLGIIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c28-15-20-19(21(12-22(20)29)26-13-16-5-2-1-3-6-16)11-18-8-10-25-23(27-18)17-7-4-9-24-14-17/h4,7-10,14,16,19-22,26,28-29H,1-3,5-6,11-13,15H2.
What are the key properties of 4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol?
4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol has a molecular weight of 396.54 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 162898305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).