[(1R,2S,4S)-2-methyl-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentyl]methanol

C14H23N3O — CID 66804992

IUPAC[(1R,2S,4S)-2-methyl-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentyl]methanol
SMILESCc1nc(C)c(C)c(N[C@@H]2C[C@@H](CO)[C@@H](C)C2)n1
InChIInChI=1S/C14H23N3O/c1-8-5-13(6-12(8)7-18)17-14-9(2)10(3)15-11(4)16-14/h8,12-13,18H,5-7H2,1-4H3,(H,15,16,17)/t8-,12-,13-/m0/s1
InChIKeyLJKQVVUMUYOJKH-HJIKLVIJSA-N
MW249.36 g/mol
LogP2.22
Rot. Bonds3

About [(1R,2S,4S)-2-methyl-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentyl]methanol

[(1R,2S,4S)-2-methyl-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentyl]methanol (PubChem CID 66804992) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [(1R,2S,4S)-2-methyl-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,2S,4S)-2-methyl-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentyl]methanol
PubChem CID66804992
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[(1R,2S,4S)-2-methyl-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentyl]methanol
SMILESCc1nc(C)c(C)c(N[C@@H]2C[C@@H](CO)[C@@H](C)C2)n1
InChIInChI=1S/C14H23N3O/c1-8-5-13(6-12(8)7-18)17-14-9(2)10(3)15-11(4)16-14/h8,12-13,18H,5-7H2,1-4H3,(H,15,16,17)/t8-,12-,13-/m0/s1
InChIKeyLJKQVVUMUYOJKH-HJIKLVIJSA-N
XLogP2.22
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(1R,2S,4S)-2-methyl-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(5-Fluoro-2,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 132386722
4-[[3-(Hydroxymethyl)-1,2-dimethylcyclopentyl]amino]-6-methyl-2-(3,3,3-trifluoropropylamino)pyrimidine-5-carbothioamide
CID 90957916
[2-[[(5-Fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 108151453
[2-[[[2-Amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 114565356
[2-[[[2-(Methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 114565357
1-(Hydroxymethyl)-3-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutan-1-ol
CID 53943756
3-(Hydroxymethyl)-3-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutan-1-ol
CID 54028737
[3,3-Dimethyl-1-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutyl]methanol
CID 54425847
(1R,2S,5R)-3-ethyl-5-[(5-iodo-2,6-dimethylpyrimidin-4-yl)amino]-2-methylcyclopentan-1-ol
CID 58570527
(1R,2S,5R)-3-(hydroxymethyl)-5-[(5-iodo-2,6-dimethylpyrimidin-4-yl)amino]-2-methylcyclopentan-1-ol
CID 58570538
(1S,2S,4R)-2-(hydroxymethyl)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol
CID 66804983
(1S,2R,4R)-2-(hydroxymethyl)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol
CID 66805016

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,4S)-2-methyl-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentyl]methanol?
The IUPAC name of [(1R,2S,4S)-2-methyl-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentyl]methanol (CID 66804992) is [(1R,2S,4S)-2-methyl-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentyl]methanol.
What is the SMILES notation for [(1R,2S,4S)-2-methyl-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentyl]methanol?
The canonical SMILES for [(1R,2S,4S)-2-methyl-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentyl]methanol is Cc1nc(C)c(C)c(N[C@@H]2C[C@@H](CO)[C@@H](C)C2)n1.
What is the InChIKey of [(1R,2S,4S)-2-methyl-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentyl]methanol?
The InChIKey is LJKQVVUMUYOJKH-HJIKLVIJSA-N. The full InChI is InChI=1S/C14H23N3O/c1-8-5-13(6-12(8)7-18)17-14-9(2)10(3)15-11(4)16-14/h8,12-13,18H,5-7H2,1-4H3,(H,15,16,17)/t8-,12-,13-/m0/s1.
What are the key properties of [(1R,2S,4S)-2-methyl-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentyl]methanol?
[(1R,2S,4S)-2-methyl-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentyl]methanol has a molecular weight of 249.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4S)-2-methyl-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentyl]methanol is sourced from PubChem (CID 66804992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).