4-chloro-5-ethyl-2-propyl-1H-pyrimidin-6-one

C9H13ClN2O — CID 137277402

IUPAC4-chloro-5-ethyl-2-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(Cl)c(CC)c(=O)[nH]1
InChIInChI=1S/C9H13ClN2O/c1-3-5-7-11-8(10)6(4-2)9(13)12-7/h3-5H2,1-2H3,(H,11,12,13)
InChIKeyQRLYGIZUIDQZGQ-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.94
Rot. Bonds3

About 4-chloro-5-ethyl-2-propyl-1H-pyrimidin-6-one

4-chloro-5-ethyl-2-propyl-1H-pyrimidin-6-one (PubChem CID 137277402) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 4-chloro-5-ethyl-2-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-chloro-5-ethyl-2-propyl-1H-pyrimidin-6-one
PubChem CID137277402
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name4-chloro-5-ethyl-2-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(Cl)c(CC)c(=O)[nH]1
InChIInChI=1S/C9H13ClN2O/c1-3-5-7-11-8(10)6(4-2)9(13)12-7/h3-5H2,1-2H3,(H,11,12,13)
InChIKeyQRLYGIZUIDQZGQ-UHFFFAOYSA-N
XLogP1.94
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-2-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-chloro-5-ethyl-2-propyl-1H-pyrimidin-6-one (CID 137277402) is 4-chloro-5-ethyl-2-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-chloro-5-ethyl-2-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-chloro-5-ethyl-2-propyl-1H-pyrimidin-6-one is CCCc1nc(Cl)c(CC)c(=O)[nH]1.
What is the InChIKey of 4-chloro-5-ethyl-2-propyl-1H-pyrimidin-6-one?
The InChIKey is QRLYGIZUIDQZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-3-5-7-11-8(10)6(4-2)9(13)12-7/h3-5H2,1-2H3,(H,11,12,13).
What are the key properties of 4-chloro-5-ethyl-2-propyl-1H-pyrimidin-6-one?
4-chloro-5-ethyl-2-propyl-1H-pyrimidin-6-one has a molecular weight of 200.67 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-2-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137277402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).