5,6-dichloro-3-(cyclopropylmethyl)pyrimidin-4-one

C8H8Cl2N2O — CID 114583025

IUPAC5,6-dichloro-3-(cyclopropylmethyl)pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1CC1CC1
InChIInChI=1S/C8H8Cl2N2O/c9-6-7(10)11-4-12(8(6)13)3-5-1-2-5/h4-5H,1-3H2
InChIKeyDSVMUUXHGUHINI-UHFFFAOYSA-N
MW219.07 g/mol
LogP1.96
Rot. Bonds2

About 5,6-dichloro-3-(cyclopropylmethyl)pyrimidin-4-one

5,6-dichloro-3-(cyclopropylmethyl)pyrimidin-4-one (PubChem CID 114583025) has the molecular formula C8H8Cl2N2O and a molecular weight of 219.07 g/mol. Its IUPAC name is 5,6-dichloro-3-(cyclopropylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-(cyclopropylmethyl)pyrimidin-4-one
PubChem CID114583025
Molecular FormulaC8H8Cl2N2O
Molecular Weight219.07 g/mol
Exact Mass218.00
IUPAC Name5,6-dichloro-3-(cyclopropylmethyl)pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1CC1CC1
InChIInChI=1S/C8H8Cl2N2O/c9-6-7(10)11-4-12(8(6)13)3-5-1-2-5/h4-5H,1-3H2
InChIKeyDSVMUUXHGUHINI-UHFFFAOYSA-N
XLogP1.96
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloro-3-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-one
CID 166307278
5,6-Dichloro-3-pentan-2-ylpyrimidin-4-one
CID 107885728
6-Chloro-3-(cyclopropylmethyl)pyrimidin-4-one
CID 114582159
6-Chloro-3-(2-cyclopropylethyl)pyrimidin-4-one
CID 114582346
5,6-Dichloro-3-(2-methylbutyl)pyrimidin-4-one
CID 114582889
5,6-Dichloro-3-pentylpyrimidin-4-one
CID 114582900
5,6-Dichloro-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one
CID 114582935
5,6-Dichloro-3-(2-methylprop-2-enyl)pyrimidin-4-one
CID 114582952
5,6-Dichloro-3-(2-methylpentyl)pyrimidin-4-one
CID 114582971
4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide
CID 114582981
5,6-Dichloro-3-(4-methylpentyl)pyrimidin-4-one
CID 114583004
5,6-Dichloro-3-(3,3-dimethylbutyl)pyrimidin-4-one
CID 114583035

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-(cyclopropylmethyl)pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-(cyclopropylmethyl)pyrimidin-4-one (CID 114583025) is 5,6-dichloro-3-(cyclopropylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-(cyclopropylmethyl)pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-(cyclopropylmethyl)pyrimidin-4-one is O=c1c(Cl)c(Cl)ncn1CC1CC1.
What is the InChIKey of 5,6-dichloro-3-(cyclopropylmethyl)pyrimidin-4-one?
The InChIKey is DSVMUUXHGUHINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O/c9-6-7(10)11-4-12(8(6)13)3-5-1-2-5/h4-5H,1-3H2.
What are the key properties of 5,6-dichloro-3-(cyclopropylmethyl)pyrimidin-4-one?
5,6-dichloro-3-(cyclopropylmethyl)pyrimidin-4-one has a molecular weight of 219.07 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-(cyclopropylmethyl)pyrimidin-4-one is sourced from PubChem (CID 114583025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).