3-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-ol

C13H20N2O — CID 116894013

IUPAC3-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-ol
SMILESCc1cc(C2CCCC2)nc(CCCO)n1
InChIInChI=1S/C13H20N2O/c1-10-9-12(11-5-2-3-6-11)15-13(14-10)7-4-8-16/h9,11,16H,2-8H2,1H3
InChIKeyBSKDITFSUZXUNO-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.37
Rot. Bonds4

About 3-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-ol

3-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-ol (PubChem CID 116894013) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-ol
PubChem CID116894013
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-ol
SMILESCc1cc(C2CCCC2)nc(CCCO)n1
InChIInChI=1S/C13H20N2O/c1-10-9-12(11-5-2-3-6-11)15-13(14-10)7-4-8-16/h9,11,16H,2-8H2,1H3
InChIKeyBSKDITFSUZXUNO-UHFFFAOYSA-N
XLogP2.37
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyclopentyl-6-methylpyrimidin-2-yl)ethanol
CID 116893957
2-(chloromethyl)-4-cyclopentyl-6-methylpyrimidine
CID 80656567
1-(4-cyclobutyl-6-methylpyrimidin-2-yl)propan-2-one
CID 116895464
N-[(4-cyclobutyl-6-methylpyrimidin-2-yl)methyl]ethanamine
CID 116893201
1-(4-cyclopentyl-6-methylpyrimidin-2-yl)-2-methylpropan-2-amine
CID 116892859
3-(4-cyclopropyl-6-methyl-2-pyridinyl)propan-1-ol
CID 26793150
3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanoic acid
CID 116894130
2-amino-1-(4-cyclopentyl-6-methylpyrimidin-2-yl)ethanol
CID 116895876
2-(4-cyclopentyl-6-methylpyrimidin-2-yl)butan-2-amine
CID 63318667
3-(4-cyclopentyl-1,3-oxazol-2-yl)propan-1-ol
CID 115020265
3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanenitrile
CID 116895150
4-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-2-amine
CID 116893068

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-ol?
The IUPAC name of 3-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-ol (CID 116894013) is 3-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-ol.
What is the SMILES notation for 3-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-ol?
The canonical SMILES for 3-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-ol is Cc1cc(C2CCCC2)nc(CCCO)n1.
What is the InChIKey of 3-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-ol?
The InChIKey is BSKDITFSUZXUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-9-12(11-5-2-3-6-11)15-13(14-10)7-4-8-16/h9,11,16H,2-8H2,1H3.
What are the key properties of 3-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-ol?
3-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-ol has a molecular weight of 220.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-ol is sourced from PubChem (CID 116894013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).