2-[1-[(4-chloro-6-oxopyrimidin-1-yl)methyl]cyclopropyl]acetonitrile

C10H10ClN3O — CID 114582224

IUPAC2-[1-[(4-chloro-6-oxopyrimidin-1-yl)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(Cn2cnc(Cl)cc2=O)CC1
InChIInChI=1S/C10H10ClN3O/c11-8-5-9(15)14(7-13-8)6-10(1-2-10)3-4-12/h5,7H,1-3,6H2
InChIKeyIOCXLIGPZRCDDX-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.59
Rot. Bonds3

About 2-[1-[(4-chloro-6-oxopyrimidin-1-yl)methyl]cyclopropyl]acetonitrile

2-[1-[(4-chloro-6-oxopyrimidin-1-yl)methyl]cyclopropyl]acetonitrile (PubChem CID 114582224) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-[1-[(4-chloro-6-oxopyrimidin-1-yl)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(4-chloro-6-oxopyrimidin-1-yl)methyl]cyclopropyl]acetonitrile
PubChem CID114582224
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name2-[1-[(4-chloro-6-oxopyrimidin-1-yl)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(Cn2cnc(Cl)cc2=O)CC1
InChIInChI=1S/C10H10ClN3O/c11-8-5-9(15)14(7-13-8)6-10(1-2-10)3-4-12/h5,7H,1-3,6H2
InChIKeyIOCXLIGPZRCDDX-UHFFFAOYSA-N
XLogP1.59
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chloro-6-oxopyrimidin-1-yl)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(4-chloro-6-oxopyrimidin-1-yl)methyl]cyclopropyl]acetonitrile (CID 114582224) is 2-[1-[(4-chloro-6-oxopyrimidin-1-yl)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(4-chloro-6-oxopyrimidin-1-yl)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(4-chloro-6-oxopyrimidin-1-yl)methyl]cyclopropyl]acetonitrile is N#CCC1(Cn2cnc(Cl)cc2=O)CC1.
What is the InChIKey of 2-[1-[(4-chloro-6-oxopyrimidin-1-yl)methyl]cyclopropyl]acetonitrile?
The InChIKey is IOCXLIGPZRCDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c11-8-5-9(15)14(7-13-8)6-10(1-2-10)3-4-12/h5,7H,1-3,6H2.
What are the key properties of 2-[1-[(4-chloro-6-oxopyrimidin-1-yl)methyl]cyclopropyl]acetonitrile?
2-[1-[(4-chloro-6-oxopyrimidin-1-yl)methyl]cyclopropyl]acetonitrile has a molecular weight of 223.66 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chloro-6-oxopyrimidin-1-yl)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 114582224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).