4-(cyclohexylamino)-2-(hydroxymethyl)-3-[(2-propan-2-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol

C20H33N3O2 — CID 162812242

IUPAC4-(cyclohexylamino)-2-(hydroxymethyl)-3-[(2-propan-2-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol
SMILESCC(C)c1nccc(CC2C(NC3CCCCC3)CC(O)C2CO)n1
InChIInChI=1S/C20H33N3O2/c1-13(2)20-21-9-8-15(23-20)10-16-17(12-24)19(25)11-18(16)22-14-6-4-3-5-7-14/h8-9,13-14,16-19,22,24-25H,3-7,10-12H2,1-2H3
InChIKeyAVQKAVDJHZVBMN-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.42
Rot. Bonds6

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

4-(cyclohexylamino)-2-(hydroxymethyl)-3-[(2-propan-2-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol (PubChem CID 162812242) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 4-(cyclohexylamino)-2-(hydroxymethyl)-3-[(2-propan-2-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name4-(cyclohexylamino)-2-(hydroxymethyl)-3-[(2-propan-2-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol
PubChem CID162812242
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name4-(cyclohexylamino)-2-(hydroxymethyl)-3-[(2-propan-2-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol
SMILESCC(C)c1nccc(CC2C(NC3CCCCC3)CC(O)C2CO)n1
InChIInChI=1S/C20H33N3O2/c1-13(2)20-21-9-8-15(23-20)10-16-17(12-24)19(25)11-18(16)22-14-6-4-3-5-7-14/h8-9,13-14,16-19,22,24-25H,3-7,10-12H2,1-2H3
InChIKeyAVQKAVDJHZVBMN-UHFFFAOYSA-N
XLogP2.42
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

(1R,2S,3R,4R)-4-(dimethylamino)-3-[[2-(2-fluorophenyl)pyrimidin-4-yl]methyl]-2-(hydroxymethyl)cyclopentan-1-ol
CID 129602623
(1R,2S,3R,4R)-4-[(4-fluorophenyl)methylamino]-2-(hydroxymethyl)-3-[(2-propan-2-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol
CID 129602657
(1R,2S,3R,4R)-3-[(2-cyclopropylpyrimidin-4-yl)methyl]-4-[(4-fluorophenyl)methylamino]-2-(hydroxymethyl)cyclopentan-1-ol
CID 129602744
(1R,2S,3R,4R)-4-[(3,4-difluorophenyl)methylamino]-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol
CID 129602799
(1R,2S,3R,4R)-3-[[2-(2-fluorophenyl)pyrimidin-4-yl]methyl]-2-(hydroxymethyl)-4-[(2-methylphenyl)methylamino]cyclopentan-1-ol
CID 129602865
(1R,2S,3R,4R)-4-[(2-fluorophenyl)methylamino]-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol
CID 129602957
(1R,2S,3R,4R)-3-[[2-(2-fluorophenyl)pyrimidin-4-yl]methyl]-2-(hydroxymethyl)-4-(3-methylbutylamino)cyclopentan-1-ol
CID 129602993
(1R,2S,3R,4R)-4-[(4-fluorophenyl)methylamino]-2-(hydroxymethyl)-3-[(2-methylpyrimidin-4-yl)methyl]cyclopentan-1-ol
CID 129602578
(1R,2S,3R,4R)-4-(cyclohexylmethylamino)-3-[[2-(2-fluorophenyl)pyrimidin-4-yl]methyl]-2-(hydroxymethyl)cyclopentan-1-ol
CID 129602587
(1R,2S,3R,4R)-4-(2,2-dimethylpropylamino)-2-(hydroxymethyl)-3-[[2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]cyclopentan-1-ol
CID 129602593
(1R,2S,3R,4R)-3-[(2-cyclopropylpyrimidin-4-yl)methyl]-4-[(4,4-difluorocyclohexyl)amino]-2-(hydroxymethyl)cyclopentan-1-ol
CID 129602606
(1R,2S,3R,4R)-4-[(3,4-difluorophenyl)methylamino]-3-[[2-(2-fluorophenyl)pyrimidin-4-yl]methyl]-2-(hydroxymethyl)cyclopentan-1-ol
CID 129602612

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-2-(hydroxymethyl)-3-[(2-propan-2-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol?
The IUPAC name of 4-(cyclohexylamino)-2-(hydroxymethyl)-3-[(2-propan-2-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol (CID 162812242) is 4-(cyclohexylamino)-2-(hydroxymethyl)-3-[(2-propan-2-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 4-(cyclohexylamino)-2-(hydroxymethyl)-3-[(2-propan-2-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for 4-(cyclohexylamino)-2-(hydroxymethyl)-3-[(2-propan-2-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol is CC(C)c1nccc(CC2C(NC3CCCCC3)CC(O)C2CO)n1.
What is the InChIKey of 4-(cyclohexylamino)-2-(hydroxymethyl)-3-[(2-propan-2-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol?
The InChIKey is AVQKAVDJHZVBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-13(2)20-21-9-8-15(23-20)10-16-17(12-24)19(25)11-18(16)22-14-6-4-3-5-7-14/h8-9,13-14,16-19,22,24-25H,3-7,10-12H2,1-2H3.
What are the key properties of 4-(cyclohexylamino)-2-(hydroxymethyl)-3-[(2-propan-2-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol?
4-(cyclohexylamino)-2-(hydroxymethyl)-3-[(2-propan-2-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol has a molecular weight of 347.50 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-2-(hydroxymethyl)-3-[(2-propan-2-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 162812242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).