1-[(4,5-dichloro-6-oxopyrimidin-1-yl)methyl]cyclopropane-1-carbonitrile

C9H7Cl2N3O — CID 164646018

IUPAC1-[(4,5-dichloro-6-oxopyrimidin-1-yl)methyl]cyclopropane-1-carbonitrile
SMILESN#CC1(Cn2cnc(Cl)c(Cl)c2=O)CC1
InChIInChI=1S/C9H7Cl2N3O/c10-6-7(11)13-5-14(8(6)15)4-9(3-12)1-2-9/h5H,1-2,4H2
InChIKeyWAOKANREYMVMMU-UHFFFAOYSA-N
MW244.08 g/mol
LogP1.85
Rot. Bonds2

About 1-[(4,5-dichloro-6-oxopyrimidin-1-yl)methyl]cyclopropane-1-carbonitrile

1-[(4,5-dichloro-6-oxopyrimidin-1-yl)methyl]cyclopropane-1-carbonitrile (PubChem CID 164646018) has the molecular formula C9H7Cl2N3O and a molecular weight of 244.08 g/mol. Its IUPAC name is 1-[(4,5-dichloro-6-oxopyrimidin-1-yl)methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[(4,5-dichloro-6-oxopyrimidin-1-yl)methyl]cyclopropane-1-carbonitrile
PubChem CID164646018
Molecular FormulaC9H7Cl2N3O
Molecular Weight244.08 g/mol
Exact Mass243.00
IUPAC Name1-[(4,5-dichloro-6-oxopyrimidin-1-yl)methyl]cyclopropane-1-carbonitrile
SMILESN#CC1(Cn2cnc(Cl)c(Cl)c2=O)CC1
InChIInChI=1S/C9H7Cl2N3O/c10-6-7(11)13-5-14(8(6)15)4-9(3-12)1-2-9/h5H,1-2,4H2
InChIKeyWAOKANREYMVMMU-UHFFFAOYSA-N
XLogP1.85
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(4,5-dichloro-6-oxopyrimidin-1-yl)methyl]cyclopropane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4,5-Dichloro-6-oxopyrimidin-1-yl)-2,2-dimethylhexanenitrile
CID 106713684
5-(4,5-Dichloro-6-oxopyrimidin-1-yl)pentanenitrile
CID 114582917
4-(4,5-Dichloro-6-oxopyrimidin-1-yl)butanenitrile
CID 114582960
5,6-Dichloro-3-(cyclopropylmethyl)pyrimidin-4-one
CID 114583025
5,6-Dichloro-3-(3,3-dimethylbutyl)pyrimidin-4-one
CID 114583035
4-(4,5-Dichloro-6-oxopyrimidin-1-yl)-2,2-dimethylbutanenitrile
CID 114583048
2-(4,5-Dichloro-6-oxopyrimidin-1-yl)butanenitrile
CID 114583081
5-(4,5-Dichloro-6-oxopyrimidin-1-yl)-2,2-dimethylpentanenitrile
CID 114583088
2-[1-[(4,5-Dichloro-6-oxopyrimidin-1-yl)methyl]cyclopropyl]acetonitrile
CID 114583091
5,6-Dichloro-3-(2-cyclopropylethyl)pyrimidin-4-one
CID 114583205
1-[(5-Bromo-4-chloro-6-oxo-1,6-dihydropyrimidin-1-yl)methyl]cyclopropane-1-carbonitrile
CID 164646019
1-[(4-Chloro-5-iodo-6-oxo-1,6-dihydropyrimidin-1-yl)methyl]cyclopropane-1-carbonitrile
CID 164646020

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dichloro-6-oxopyrimidin-1-yl)methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[(4,5-dichloro-6-oxopyrimidin-1-yl)methyl]cyclopropane-1-carbonitrile (CID 164646018) is 1-[(4,5-dichloro-6-oxopyrimidin-1-yl)methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[(4,5-dichloro-6-oxopyrimidin-1-yl)methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[(4,5-dichloro-6-oxopyrimidin-1-yl)methyl]cyclopropane-1-carbonitrile is N#CC1(Cn2cnc(Cl)c(Cl)c2=O)CC1.
What is the InChIKey of 1-[(4,5-dichloro-6-oxopyrimidin-1-yl)methyl]cyclopropane-1-carbonitrile?
The InChIKey is WAOKANREYMVMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3O/c10-6-7(11)13-5-14(8(6)15)4-9(3-12)1-2-9/h5H,1-2,4H2.
What are the key properties of 1-[(4,5-dichloro-6-oxopyrimidin-1-yl)methyl]cyclopropane-1-carbonitrile?
1-[(4,5-dichloro-6-oxopyrimidin-1-yl)methyl]cyclopropane-1-carbonitrile has a molecular weight of 244.08 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dichloro-6-oxopyrimidin-1-yl)methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 164646018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).