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

C7H9ClN2O — CID 135667620

IUPAC2-chloro-4-ethyl-5-methyl-1H-pyrimidin-6-one
SMILESCCc1nc(Cl)[nH]c(=O)c1C
InChIInChI=1S/C7H9ClN2O/c1-3-5-4(2)6(11)10-7(8)9-5/h3H2,1-2H3,(H,9,10,11)
InChIKeyUXDKYYCKZKCGFR-UHFFFAOYSA-N
MW172.61 g/mol
LogP1.29
Rot. Bonds1

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

2-chloro-4-ethyl-5-methyl-1H-pyrimidin-6-one (PubChem CID 135667620) has the molecular formula C7H9ClN2O and a molecular weight of 172.61 g/mol. Its IUPAC name is 2-chloro-4-ethyl-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-chloro-4-ethyl-5-methyl-1H-pyrimidin-6-one
PubChem CID135667620
Molecular FormulaC7H9ClN2O
Molecular Weight172.61 g/mol
Exact Mass172.04
IUPAC Name2-chloro-4-ethyl-5-methyl-1H-pyrimidin-6-one
SMILESCCc1nc(Cl)[nH]c(=O)c1C
InChIInChI=1S/C7H9ClN2O/c1-3-5-4(2)6(11)10-7(8)9-5/h3H2,1-2H3,(H,9,10,11)
InChIKeyUXDKYYCKZKCGFR-UHFFFAOYSA-N
XLogP1.29
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.61
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Ethyl-5-methyl-4(3H)-pyrimidinone
CID 135591009
2-amino-5-ethyl-6-methylpyrimidin-4(3H)-one
CID 135431425
2-Chloro-6-ethyl-5-fluoropyrimidin-4(3H)-one
CID 135552953
2-Amino-6-ethyl-5-methylpyrimidin-4-ol
CID 135431426
2-chloro-5,6-dimethyl-3H-pyrimidin-4-one
CID 135667619
ammonia; 2-chloro-6-ethyl-5-fluoro-1H-pyrimidin-4-one
CID 135932814
2-amino-5-methyl-4-propan-2-yl-1H-pyrimidin-6-one
CID 136420065
2-Chloro-6-ethyl-5-fluoro4-hydroxypyrimidine, ammonium salt
CID 137178918
2-chloro-5-ethenyl-4-methyl-1H-pyrimidin-6-one
CID 143546233
2-amino-4-(1-iodoethyl)-5-methyl-1H-pyrimidin-6-one
CID 147110571
5-butyl-2-chloro-4-methyl-1H-pyrimidin-6-one
CID 172155858
6-Ethyl-5-methyl-2-(trichloromethyl)-3,4-dihydropyrimidin-4-one
CID 165874875

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethyl-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-chloro-4-ethyl-5-methyl-1H-pyrimidin-6-one (CID 135667620) is 2-chloro-4-ethyl-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-chloro-4-ethyl-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-chloro-4-ethyl-5-methyl-1H-pyrimidin-6-one is CCc1nc(Cl)[nH]c(=O)c1C.
What is the InChIKey of 2-chloro-4-ethyl-5-methyl-1H-pyrimidin-6-one?
The InChIKey is UXDKYYCKZKCGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O/c1-3-5-4(2)6(11)10-7(8)9-5/h3H2,1-2H3,(H,9,10,11).
What are the key properties of 2-chloro-4-ethyl-5-methyl-1H-pyrimidin-6-one?
2-chloro-4-ethyl-5-methyl-1H-pyrimidin-6-one has a molecular weight of 172.61 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethyl-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135667620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).