6-chloro-5-cyclopentyl-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione

C12H17ClN2O3 — CID 113404373

IUPAC6-chloro-5-cyclopentyl-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione
SMILESCOCCn1c(=O)[nH]c(Cl)c(C2CCCC2)c1=O
InChIInChI=1S/C12H17ClN2O3/c1-18-7-6-15-11(16)9(8-4-2-3-5-8)10(13)14-12(15)17/h8H,2-7H2,1H3,(H,14,17)
InChIKeyFCKLAYHHTFUSQZ-UHFFFAOYSA-N
MW272.73 g/mol
LogP1.49
Rot. Bonds4

About 6-chloro-5-cyclopentyl-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione

6-chloro-5-cyclopentyl-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione (PubChem CID 113404373) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 6-chloro-5-cyclopentyl-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-5-cyclopentyl-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione
PubChem CID113404373
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name6-chloro-5-cyclopentyl-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione
SMILESCOCCn1c(=O)[nH]c(Cl)c(C2CCCC2)c1=O
InChIInChI=1S/C12H17ClN2O3/c1-18-7-6-15-11(16)9(8-4-2-3-5-8)10(13)14-12(15)17/h8H,2-7H2,1H3,(H,14,17)
InChIKeyFCKLAYHHTFUSQZ-UHFFFAOYSA-N
XLogP1.49
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-5-cyclopentyl-3-(2-propan-2-yloxyethyl)-1H-pyrimidine-2,4-dione
CID 104767936
7-benzyl-8-cyclopentyl-3-(2-methoxyethyl)purine-2,6-dione
CID 19699213
6-chloro-5-cyclopentyl-3-(thiolan-3-yl)-1H-pyrimidine-2,4-dione
CID 103065568
6-chloro-3-(2-cyclobutylethyl)-5-propyl-1H-pyrimidine-2,4-dione
CID 113479595
3-cyclopentyl-4-(2-methoxyethyl)-1H-1,2,4-triazole-5-thione
CID 115391255
3-(chloromethyl)-5-cyclopentyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 115397530
3-(2-methoxyethyl)-7-methyl-8-piperidin-4-ylpurine-2,6-dione
CID 82464231
6-chloro-3-[2-(oxan-2-yl)ethyl]-5-propyl-1H-pyrimidine-2,4-dione
CID 106003024
7-(cyclopentylmethyl)-1-(2-methoxyethyl)-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
CID 16777555
5-bromo-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione
CID 107104127
methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 159573699
N-[3-(2-ethylpiperidin-1-yl)propyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 22423195

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-cyclopentyl-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-5-cyclopentyl-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione (CID 113404373) is 6-chloro-5-cyclopentyl-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-5-cyclopentyl-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-5-cyclopentyl-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione is COCCn1c(=O)[nH]c(Cl)c(C2CCCC2)c1=O.
What is the InChIKey of 6-chloro-5-cyclopentyl-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is FCKLAYHHTFUSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-18-7-6-15-11(16)9(8-4-2-3-5-8)10(13)14-12(15)17/h8H,2-7H2,1H3,(H,14,17).
What are the key properties of 6-chloro-5-cyclopentyl-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione?
6-chloro-5-cyclopentyl-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 272.73 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-cyclopentyl-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 113404373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).