2-chloro-4-[(2-chloropyrimidin-4-yl)methyl]pyrimidine

C9H6Cl2N4 — CID 167592887

IUPAC2-chloro-4-[(2-chloropyrimidin-4-yl)methyl]pyrimidine
SMILESClc1nccc(Cc2ccnc(Cl)n2)n1
InChIInChI=1S/C9H6Cl2N4/c10-8-12-3-1-6(14-8)5-7-2-4-13-9(11)15-7/h1-4H,5H2
InChIKeyZUWDLKOSIMCGPM-UHFFFAOYSA-N
MW241.08 g/mol
LogP2.16
Rot. Bonds2

About 2-chloro-4-[(2-chloropyrimidin-4-yl)methyl]pyrimidine

2-chloro-4-[(2-chloropyrimidin-4-yl)methyl]pyrimidine (PubChem CID 167592887) has the molecular formula C9H6Cl2N4 and a molecular weight of 241.08 g/mol. Its IUPAC name is 2-chloro-4-[(2-chloropyrimidin-4-yl)methyl]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[(2-chloropyrimidin-4-yl)methyl]pyrimidine
PubChem CID167592887
Molecular FormulaC9H6Cl2N4
Molecular Weight241.08 g/mol
Exact Mass240.00
IUPAC Name2-chloro-4-[(2-chloropyrimidin-4-yl)methyl]pyrimidine
SMILESClc1nccc(Cc2ccnc(Cl)n2)n1
InChIInChI=1S/C9H6Cl2N4/c10-8-12-3-1-6(14-8)5-7-2-4-13-9(11)15-7/h1-4H,5H2
InChIKeyZUWDLKOSIMCGPM-UHFFFAOYSA-N
XLogP2.16
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-[(2-chloropyrimidin-4-yl)methyl]pyrimidine 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

4-(2-bromoethyl)-2-chloropyrimidine
CID 174481493
2-[(2-chloropyrimidin-4-yl)methyl]benzoic acid
CID 158709449
2-chloro-4-(2-methylpropyl)pyrimidine;2,4-dichloropyrimidine
CID 158691450
(2-chloropyrimidin-4-yl)methylcarbamic acid
CID 118959185
N-[(2-chloropyrimidin-4-yl)methyl]-N-methylpropan-2-amine
CID 130536221
(2-chloropyrimidin-4-yl)methyl acetate
CID 121394527
2,4-dichloropyrimidine;hydrochloride
CID 75485240
2-chloro-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyrimidine
CID 130536302
[5-[(2-chloropyrimidin-4-yl)methyl]-1-methylbenzimidazol-2-yl]methanol
CID 159917142
(2-chloropyrimidin-4-yl)oxymethanol
CID 59444619
1-[(2-chloropyrimidin-4-yl)methyl]-3-methylimidazol-2-one
CID 130536283
1,5-bis(2-chloropyrimidin-4-yl)-2,4-bis(4-fluorophenyl)pentan-3-one
CID 174666374

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2-chloropyrimidin-4-yl)methyl]pyrimidine?
The IUPAC name of 2-chloro-4-[(2-chloropyrimidin-4-yl)methyl]pyrimidine (CID 167592887) is 2-chloro-4-[(2-chloropyrimidin-4-yl)methyl]pyrimidine.
What is the SMILES notation for 2-chloro-4-[(2-chloropyrimidin-4-yl)methyl]pyrimidine?
The canonical SMILES for 2-chloro-4-[(2-chloropyrimidin-4-yl)methyl]pyrimidine is Clc1nccc(Cc2ccnc(Cl)n2)n1.
What is the InChIKey of 2-chloro-4-[(2-chloropyrimidin-4-yl)methyl]pyrimidine?
The InChIKey is ZUWDLKOSIMCGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N4/c10-8-12-3-1-6(14-8)5-7-2-4-13-9(11)15-7/h1-4H,5H2.
What are the key properties of 2-chloro-4-[(2-chloropyrimidin-4-yl)methyl]pyrimidine?
2-chloro-4-[(2-chloropyrimidin-4-yl)methyl]pyrimidine has a molecular weight of 241.08 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2-chloropyrimidin-4-yl)methyl]pyrimidine is sourced from PubChem (CID 167592887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).