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

C14H21ClN2O3 — CID 104767936

IUPAC6-chloro-5-cyclopentyl-3-(2-propan-2-yloxyethyl)-1H-pyrimidine-2,4-dione
SMILESCC(C)OCCn1c(=O)[nH]c(Cl)c(C2CCCC2)c1=O
InChIInChI=1S/C14H21ClN2O3/c1-9(2)20-8-7-17-13(18)11(10-5-3-4-6-10)12(15)16-14(17)19/h9-10H,3-8H2,1-2H3,(H,16,19)
InChIKeyXPDQWTAEFSUCPD-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.27
Rot. Bonds5

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

6-chloro-5-cyclopentyl-3-(2-propan-2-yloxyethyl)-1H-pyrimidine-2,4-dione (PubChem CID 104767936) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 6-chloro-5-cyclopentyl-3-(2-propan-2-yloxyethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-5-cyclopentyl-3-(2-propan-2-yloxyethyl)-1H-pyrimidine-2,4-dione
PubChem CID104767936
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name6-chloro-5-cyclopentyl-3-(2-propan-2-yloxyethyl)-1H-pyrimidine-2,4-dione
SMILESCC(C)OCCn1c(=O)[nH]c(Cl)c(C2CCCC2)c1=O
InChIInChI=1S/C14H21ClN2O3/c1-9(2)20-8-7-17-13(18)11(10-5-3-4-6-10)12(15)16-14(17)19/h9-10H,3-8H2,1-2H3,(H,16,19)
InChIKeyXPDQWTAEFSUCPD-UHFFFAOYSA-N
XLogP2.27
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-cyclopentyl-3-(2-propan-2-yloxyethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-5-cyclopentyl-3-(2-propan-2-yloxyethyl)-1H-pyrimidine-2,4-dione (CID 104767936) is 6-chloro-5-cyclopentyl-3-(2-propan-2-yloxyethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-5-cyclopentyl-3-(2-propan-2-yloxyethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-5-cyclopentyl-3-(2-propan-2-yloxyethyl)-1H-pyrimidine-2,4-dione is CC(C)OCCn1c(=O)[nH]c(Cl)c(C2CCCC2)c1=O.
What is the InChIKey of 6-chloro-5-cyclopentyl-3-(2-propan-2-yloxyethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is XPDQWTAEFSUCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-9(2)20-8-7-17-13(18)11(10-5-3-4-6-10)12(15)16-14(17)19/h9-10H,3-8H2,1-2H3,(H,16,19).
What are the key properties of 6-chloro-5-cyclopentyl-3-(2-propan-2-yloxyethyl)-1H-pyrimidine-2,4-dione?
6-chloro-5-cyclopentyl-3-(2-propan-2-yloxyethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 300.79 g/mol, XLogP of 2.27, 5 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-propan-2-yloxyethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 104767936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).