6-chloro-5-cyclopropyl-1H-pyrimidin-2-one

C7H7ClN2O — CID 117260838

IUPAC6-chloro-5-cyclopropyl-1H-pyrimidin-2-one
SMILESO=c1ncc(C2CC2)c(Cl)[nH]1
InChIInChI=1S/C7H7ClN2O/c8-6-5(4-1-2-4)3-9-7(11)10-6/h3-4H,1-2H2,(H,9,10,11)
InChIKeyWVYFEUMROLMJGB-UHFFFAOYSA-N
MW170.60 g/mol
LogP1.30
Rot. Bonds1

About 6-chloro-5-cyclopropyl-1H-pyrimidin-2-one

6-chloro-5-cyclopropyl-1H-pyrimidin-2-one (PubChem CID 117260838) has the molecular formula C7H7ClN2O and a molecular weight of 170.60 g/mol. Its IUPAC name is 6-chloro-5-cyclopropyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-chloro-5-cyclopropyl-1H-pyrimidin-2-one
PubChem CID117260838
Molecular FormulaC7H7ClN2O
Molecular Weight170.60 g/mol
Exact Mass170.02
IUPAC Name6-chloro-5-cyclopropyl-1H-pyrimidin-2-one
SMILESO=c1ncc(C2CC2)c(Cl)[nH]1
InChIInChI=1S/C7H7ClN2O/c8-6-5(4-1-2-4)3-9-7(11)10-6/h3-4H,1-2H2,(H,9,10,11)
InChIKeyWVYFEUMROLMJGB-UHFFFAOYSA-N
XLogP1.30
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-5-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrimidin-2-one
CID 117260542
(1S)-3,5-diazatricyclo[6.2.1.02,7]undeca-2(7),5-dien-4-one
CID 89408127
2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrimidin-6-one
CID 117260590
2-[(5-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-1H-pyrimidin-6-one
CID 68805832
5-chloro-4-cyclopropyl-2-methylpyridine
CID 172907560
5-chloro-6-(oxiran-2-ylmethyl)-1H-pyrimidin-2-one
CID 88766618
5-(2-aminoethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
CID 83861735
2-chloro-5-cyclopropyl-4-methylsulfonylpyrimidine
CID 155269851
3-cyclobutyl-2,4-dihydropyrazolo[4,3-d]pyrimidin-5-one
CID 148547846
7-cyclopropyl-1H-pyrazolo[1,5-a][1,3,5]triazin-2-one
CID 137302571
5-ethyl-6-piperidin-4-yl-1H-pyrimidin-2-one
CID 82395604
6-cyclopropyl-5-[(methoxyamino)methyl]-1H-pyrimidin-2-one
CID 82657252

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-cyclopropyl-1H-pyrimidin-2-one?
The IUPAC name of 6-chloro-5-cyclopropyl-1H-pyrimidin-2-one (CID 117260838) is 6-chloro-5-cyclopropyl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-chloro-5-cyclopropyl-1H-pyrimidin-2-one?
The canonical SMILES for 6-chloro-5-cyclopropyl-1H-pyrimidin-2-one is O=c1ncc(C2CC2)c(Cl)[nH]1.
What is the InChIKey of 6-chloro-5-cyclopropyl-1H-pyrimidin-2-one?
The InChIKey is WVYFEUMROLMJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O/c8-6-5(4-1-2-4)3-9-7(11)10-6/h3-4H,1-2H2,(H,9,10,11).
What are the key properties of 6-chloro-5-cyclopropyl-1H-pyrimidin-2-one?
6-chloro-5-cyclopropyl-1H-pyrimidin-2-one has a molecular weight of 170.60 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-cyclopropyl-1H-pyrimidin-2-one is sourced from PubChem (CID 117260838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).