4-chloropyrimidine

C4H3ClN2 — CID 642834

IUPAC4-chloropyrimidine
SMILESClc1ccncn1
InChIInChI=1S/C4H3ClN2/c5-4-1-2-6-3-7-4/h1-3H
InChIKeyDBPKMSBWOKAKLA-UHFFFAOYSA-N
MW114.53 g/mol
LogP1.13
Rot. Bonds

About 4-chloropyrimidine

4-chloropyrimidine (PubChem CID 642834) has the molecular formula C4H3ClN2 and a molecular weight of 114.53 g/mol. Its IUPAC name is 4-chloropyrimidine.

Molecular Properties

Compound Name4-chloropyrimidine
PubChem CID642834
Molecular FormulaC4H3ClN2
Molecular Weight114.53 g/mol
Exact Mass114.00
IUPAC Name4-chloropyrimidine
SMILESClc1ccncn1
InChIInChI=1S/C4H3ClN2/c5-4-1-2-6-3-7-4/h1-3H
InChIKeyDBPKMSBWOKAKLA-UHFFFAOYSA-N
XLogP1.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.53
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Aminopyrimidine
CID 7978
Pyrimidine
CID 9260
2-Bromopyrimidine
CID 78345
2,4-Diaminopyrimidine
CID 67431
2,4,6-Trichloropyrimidine
CID 77378
2,4-Dichloropyrimidine
CID 77531
2-Cyanopyrimidine
CID 2757979
N-methylpyrimidin-2-amine
CID 265776
2,4,5-Trichloropyrimidine
CID 237259
2-Pyrimidinamine, 5-chloro-
CID 79479
2-Chloro-N,N-dimethylpyrimidin-4-amine
CID 95975
2-Fluoropyrimidine
CID 141643

Frequently Asked Questions

What is the IUPAC name of 4-chloropyrimidine?
The IUPAC name of 4-chloropyrimidine (CID 642834) is 4-chloropyrimidine.
What is the SMILES notation for 4-chloropyrimidine?
The canonical SMILES for 4-chloropyrimidine is Clc1ccncn1.
What is the InChIKey of 4-chloropyrimidine?
The InChIKey is DBPKMSBWOKAKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClN2/c5-4-1-2-6-3-7-4/h1-3H.
What are the key properties of 4-chloropyrimidine?
4-chloropyrimidine has a molecular weight of 114.53 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloropyrimidine is sourced from PubChem (CID 642834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).