2,4,5-trichloro-6-cyclopropylpyrimidine

C7H5Cl3N2 — CID 135310559

IUPAC2,4,5-trichloro-6-cyclopropylpyrimidine
SMILESClc1nc(Cl)c(Cl)c(C2CC2)n1
InChIInChI=1S/C7H5Cl3N2/c8-4-5(3-1-2-3)11-7(10)12-6(4)9/h3H,1-2H2
InChIKeyFEXKGLURLMTMGV-UHFFFAOYSA-N
MW223.49 g/mol
LogP3.31
Rot. Bonds1

About 2,4,5-trichloro-6-cyclopropylpyrimidine

2,4,5-trichloro-6-cyclopropylpyrimidine (PubChem CID 135310559) has the molecular formula C7H5Cl3N2 and a molecular weight of 223.49 g/mol. Its IUPAC name is 2,4,5-trichloro-6-cyclopropylpyrimidine.

Molecular Properties

Compound Name2,4,5-trichloro-6-cyclopropylpyrimidine
PubChem CID135310559
Molecular FormulaC7H5Cl3N2
Molecular Weight223.49 g/mol
Exact Mass221.95
IUPAC Name2,4,5-trichloro-6-cyclopropylpyrimidine
SMILESClc1nc(Cl)c(Cl)c(C2CC2)n1
InChIInChI=1S/C7H5Cl3N2/c8-4-5(3-1-2-3)11-7(10)12-6(4)9/h3H,1-2H2
InChIKeyFEXKGLURLMTMGV-UHFFFAOYSA-N
XLogP3.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.49
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Dichloro-6-ethylpyrimidine
CID 11137668
2,4,5-Trichloro-6-ethylpyrimidine
CID 246015
2,4-Dichloro-6-(propan-2-yl)pyrimidine
CID 246012
2,4-dichloro-5H,6H,7H-cyclopenta(d)pyrimidine
CID 231331
4,5-Dichloro-6-isopropylpyrimidine
CID 19371731
4-Chloro-6-cyclopropyl-2-pyrimidinamine
CID 21846358
2,4-Dichloro-6-cyclopropylpyrimidine
CID 22309085
5-Bromo-4-chloro-6-cyclopropylpyrimidine
CID 24903882
2,4-dichloro-5H,6H,7H,8H,9H,10H-cycloocta(d)pyrimidine
CID 65712280
2,4-Dichloro-6-ethyl-5-fluoropyrimidine
CID 22323353
2,4,5-Trichloro-6-propylpyrimidine
CID 246016
Pyrimidine, 2,4,5-trichloro-6-(1-methylethyl)-
CID 246017

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trichloro-6-cyclopropylpyrimidine?
The IUPAC name of 2,4,5-trichloro-6-cyclopropylpyrimidine (CID 135310559) is 2,4,5-trichloro-6-cyclopropylpyrimidine.
What is the SMILES notation for 2,4,5-trichloro-6-cyclopropylpyrimidine?
The canonical SMILES for 2,4,5-trichloro-6-cyclopropylpyrimidine is Clc1nc(Cl)c(Cl)c(C2CC2)n1.
What is the InChIKey of 2,4,5-trichloro-6-cyclopropylpyrimidine?
The InChIKey is FEXKGLURLMTMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3N2/c8-4-5(3-1-2-3)11-7(10)12-6(4)9/h3H,1-2H2.
What are the key properties of 2,4,5-trichloro-6-cyclopropylpyrimidine?
2,4,5-trichloro-6-cyclopropylpyrimidine has a molecular weight of 223.49 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trichloro-6-cyclopropylpyrimidine is sourced from PubChem (CID 135310559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).