[1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol

C14H23N3O — CID 72894203

IUPAC[1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
SMILESCC(C)c1cc(NCC2(CO)CCCC2)ncn1
InChIInChI=1S/C14H23N3O/c1-11(2)12-7-13(17-10-16-12)15-8-14(9-18)5-3-4-6-14/h7,10-11,18H,3-6,8-9H2,1-2H3,(H,15,16,17)
InChIKeyYDMZHIVNOLBAEM-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.56
Rot. Bonds5

About [1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol

[1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol (PubChem CID 72894203) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
PubChem CID72894203
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
SMILESCC(C)c1cc(NCC2(CO)CCCC2)ncn1
InChIInChI=1S/C14H23N3O/c1-11(2)12-7-13(17-10-16-12)15-8-14(9-18)5-3-4-6-14/h7,10-11,18H,3-6,8-9H2,1-2H3,(H,15,16,17)
InChIKeyYDMZHIVNOLBAEM-UHFFFAOYSA-N
XLogP2.56
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol with MolForge

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Related Compounds

[1-[[(2-Amino-6-methyl-pyrimidin-4-yl)amino]methyl]cyclobutyl]methanol
CID 500509
3-[(4-Cyclobutyl-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropan-1-ol
CID 56870630
N-{[1-(Dimethylamino)cyclopentyl]methyl}-6-isopropylpyrimidin-4-amine
CID 72838664
(1-{[(6-Isopropylpyrimidin-4-YL)amino]methyl}cyclobutyl)methanol
CID 72839408
6-isopropyl-N~4~-{[1-(methoxymethyl)cyclopropyl]methyl}pyrimidine-2,4-diamine
CID 72915884
N-[3-(Cyclopentyloxy)propyl]-6-ethylpyrimidin-4-amine
CID 72941041
3-[6-({[1-(Methoxymethyl)cyclopentyl]methyl}amino)-2-methylpyrimidin-4-yl]cyclobutanol
CID 91761732
1-[(2-Methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]butan-2-ol
CID 56707248
(1-{[(4-Cyclopentylpyrimidin-2-YL)(methyl)amino]methyl}cyclobutyl)methanol
CID 56861289
3-[(4-Cyclopentylpyrimidin-2-YL)(methyl)amino]-2,2-dimethylpropan-1-OL
CID 56877082
2-[[(6-Ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 71906577
6-Isopropyl-N-(3-methoxy-3-methylbutyl)pyrimidin-4-amine
CID 72855259

Frequently Asked Questions

What is the IUPAC name of [1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol (CID 72894203) is [1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol is CC(C)c1cc(NCC2(CO)CCCC2)ncn1.
What is the InChIKey of [1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The InChIKey is YDMZHIVNOLBAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(2)12-7-13(17-10-16-12)15-8-14(9-18)5-3-4-6-14/h7,10-11,18H,3-6,8-9H2,1-2H3,(H,15,16,17).
What are the key properties of [1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
[1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol has a molecular weight of 249.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 72894203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).