2,4-dichloro-6-cyclopropyl-5-nitropyrimidine

C7H5Cl2N3O2 — CID 24903888

IUPAC2,4-dichloro-6-cyclopropyl-5-nitropyrimidine
SMILESO=[N+]([O-])c1c(Cl)nc(Cl)nc1C1CC1
InChIInChI=1S/C7H5Cl2N3O2/c8-6-5(12(13)14)4(3-1-2-3)10-7(9)11-6/h3H,1-2H2
InChIKeyNDKLVNJMSHMKPZ-UHFFFAOYSA-N
MW234.04 g/mol
LogP2.57
Rot. Bonds2

About 2,4-dichloro-6-cyclopropyl-5-nitropyrimidine

2,4-dichloro-6-cyclopropyl-5-nitropyrimidine (PubChem CID 24903888) has the molecular formula C7H5Cl2N3O2 and a molecular weight of 234.04 g/mol. Its IUPAC name is 2,4-dichloro-6-cyclopropyl-5-nitropyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-cyclopropyl-5-nitropyrimidine
PubChem CID24903888
Molecular FormulaC7H5Cl2N3O2
Molecular Weight234.04 g/mol
Exact Mass232.98
IUPAC Name2,4-dichloro-6-cyclopropyl-5-nitropyrimidine
SMILESO=[N+]([O-])c1c(Cl)nc(Cl)nc1C1CC1
InChIInChI=1S/C7H5Cl2N3O2/c8-6-5(12(13)14)4(3-1-2-3)10-7(9)11-6/h3H,1-2H2
InChIKeyNDKLVNJMSHMKPZ-UHFFFAOYSA-N
XLogP2.57
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.04
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,4-dichloro-6-cyclopropyl-5-nitropyrimidine 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

2,4,5-trichloro-6-cyclopropylpyrimidine
CID 135310559
2,4-dichloro-6-methyl-5-nitropyrimidine
CID 131668662
2-chloro-4,6-dicyclopropyl-3-nitropyridine
CID 164662694
1-(2,6-dichloro-5-nitropyrimidin-4-yl)ethanone
CID 118969676
[3-[(2,6-dichloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol
CID 142470806
6-chloro-2-cyclopropyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 82459024
N-butan-2-yl-6-chloro-2-cyclopropyl-5-nitropyrimidin-4-amine
CID 82459020
N-butyl-6-chloro-2-cyclopropyl-5-nitropyrimidin-4-amine
CID 82459009
CID 168833907
CID 168833907
6-chloro-2-cyclopropyl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine
CID 82459022
(3-cyclopropyl-4-nitro-1H-pyrazol-5-yl)methanamine
CID 82503920
5-bromo-4-chloro-6-cyclopropyl-2-(4-nitrophenyl)pyrimidine
CID 66293932

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-cyclopropyl-5-nitropyrimidine?
The IUPAC name of 2,4-dichloro-6-cyclopropyl-5-nitropyrimidine (CID 24903888) is 2,4-dichloro-6-cyclopropyl-5-nitropyrimidine.
What is the SMILES notation for 2,4-dichloro-6-cyclopropyl-5-nitropyrimidine?
The canonical SMILES for 2,4-dichloro-6-cyclopropyl-5-nitropyrimidine is O=[N+]([O-])c1c(Cl)nc(Cl)nc1C1CC1.
What is the InChIKey of 2,4-dichloro-6-cyclopropyl-5-nitropyrimidine?
The InChIKey is NDKLVNJMSHMKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2N3O2/c8-6-5(12(13)14)4(3-1-2-3)10-7(9)11-6/h3H,1-2H2.
What are the key properties of 2,4-dichloro-6-cyclopropyl-5-nitropyrimidine?
2,4-dichloro-6-cyclopropyl-5-nitropyrimidine has a molecular weight of 234.04 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-cyclopropyl-5-nitropyrimidine is sourced from PubChem (CID 24903888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).