2-amino-1-(4-cyclopentyl-6-methylpyrimidin-2-yl)ethanol

C12H19N3O — CID 116895876

IUPAC2-amino-1-(4-cyclopentyl-6-methylpyrimidin-2-yl)ethanol
SMILESCc1cc(C2CCCC2)nc(C(O)CN)n1
InChIInChI=1S/C12H19N3O/c1-8-6-10(9-4-2-3-5-9)15-12(14-8)11(16)7-13/h6,9,11,16H,2-5,7,13H2,1H3
InChIKeyADMURMMMGFDDFB-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.43
Rot. Bonds3

About 2-amino-1-(4-cyclopentyl-6-methylpyrimidin-2-yl)ethanol

2-amino-1-(4-cyclopentyl-6-methylpyrimidin-2-yl)ethanol (PubChem CID 116895876) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-1-(4-cyclopentyl-6-methylpyrimidin-2-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(4-cyclopentyl-6-methylpyrimidin-2-yl)ethanol
PubChem CID116895876
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-amino-1-(4-cyclopentyl-6-methylpyrimidin-2-yl)ethanol
SMILESCc1cc(C2CCCC2)nc(C(O)CN)n1
InChIInChI=1S/C12H19N3O/c1-8-6-10(9-4-2-3-5-9)15-12(14-8)11(16)7-13/h6,9,11,16H,2-5,7,13H2,1H3
InChIKeyADMURMMMGFDDFB-UHFFFAOYSA-N
XLogP1.43
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-amine
CID 63319216
1-(4-cyclopropyl-6-methylpyrimidin-2-yl)ethanamine
CID 63318658
2-[4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propan-1-amine
CID 116892733
2-(4-cyclopentyl-6-methylpyrimidin-2-yl)ethanol
CID 116893957
4-cyclobutyl-6-methylpyrimidin-2-amine
CID 116894620
4-cyclopentyl-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine
CID 63343042
2-(chloromethyl)-4-cyclopentyl-6-methylpyrimidine
CID 80656567
2-amino-1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanol
CID 116895841
(2-cyclobutyl-6-methyl-4-pyridinyl)methanamine;dihydrochloride
CID 126566751
1-(4-cyclopentyl-6-methylpyrimidin-2-yl)-2-methylpropan-2-amine
CID 116892859
4-(4-cyclohexyl-6-methylpyrimidin-2-yl)aniline
CID 63319227
3-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-ol
CID 116894013

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-cyclopentyl-6-methylpyrimidin-2-yl)ethanol?
The IUPAC name of 2-amino-1-(4-cyclopentyl-6-methylpyrimidin-2-yl)ethanol (CID 116895876) is 2-amino-1-(4-cyclopentyl-6-methylpyrimidin-2-yl)ethanol.
What is the SMILES notation for 2-amino-1-(4-cyclopentyl-6-methylpyrimidin-2-yl)ethanol?
The canonical SMILES for 2-amino-1-(4-cyclopentyl-6-methylpyrimidin-2-yl)ethanol is Cc1cc(C2CCCC2)nc(C(O)CN)n1.
What is the InChIKey of 2-amino-1-(4-cyclopentyl-6-methylpyrimidin-2-yl)ethanol?
The InChIKey is ADMURMMMGFDDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-6-10(9-4-2-3-5-9)15-12(14-8)11(16)7-13/h6,9,11,16H,2-5,7,13H2,1H3.
What are the key properties of 2-amino-1-(4-cyclopentyl-6-methylpyrimidin-2-yl)ethanol?
2-amino-1-(4-cyclopentyl-6-methylpyrimidin-2-yl)ethanol has a molecular weight of 221.30 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-cyclopentyl-6-methylpyrimidin-2-yl)ethanol is sourced from PubChem (CID 116895876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).