2-chloro-4-(2-cyclopropylethoxy)-5-nitropyrimidine

C9H10ClN3O3 — CID 106201301

IUPAC2-chloro-4-(2-cyclopropylethoxy)-5-nitropyrimidine
SMILESO=[N+]([O-])c1cnc(Cl)nc1OCCC1CC1
InChIInChI=1S/C9H10ClN3O3/c10-9-11-5-7(13(14)15)8(12-9)16-4-3-6-1-2-6/h5-6H,1-4H2
InChIKeyIMTZXXNSPVANPV-UHFFFAOYSA-N
MW243.65 g/mol
LogP2.22
Rot. Bonds5

About 2-chloro-4-(2-cyclopropylethoxy)-5-nitropyrimidine

2-chloro-4-(2-cyclopropylethoxy)-5-nitropyrimidine (PubChem CID 106201301) has the molecular formula C9H10ClN3O3 and a molecular weight of 243.65 g/mol. Its IUPAC name is 2-chloro-4-(2-cyclopropylethoxy)-5-nitropyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-cyclopropylethoxy)-5-nitropyrimidine
PubChem CID106201301
Molecular FormulaC9H10ClN3O3
Molecular Weight243.65 g/mol
Exact Mass243.04
IUPAC Name2-chloro-4-(2-cyclopropylethoxy)-5-nitropyrimidine
SMILESO=[N+]([O-])c1cnc(Cl)nc1OCCC1CC1
InChIInChI=1S/C9H10ClN3O3/c10-9-11-5-7(13(14)15)8(12-9)16-4-3-6-1-2-6/h5-6H,1-4H2
InChIKeyIMTZXXNSPVANPV-UHFFFAOYSA-N
XLogP2.22
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-4-(2-cyclopropylethoxy)-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-chloro-4-methoxy-5-nitropyrimidine
CID 3801616
4-(2-cyclobutylethoxy)-5-nitro-N-propylpyrimidin-2-amine
CID 106207746
4-[2-(2,5-dichloropyrimidin-4-yl)oxyethyl]cyclohexan-1-ol
CID 174187752
2-chloro-4-(2-cyclobutylethoxy)-5-methylpyrimidine
CID 106201426
2-chloro-N-(cyclohexylmethyl)-5-nitropyrimidin-4-amine
CID 86691694
6-(2-cyclopropylethoxy)-3-nitropyridin-2-amine
CID 106207381
4-[2-(4,5-dichloro-2-nitrophenoxy)ethyl]piperidine
CID 107499870
2-cyclobutylethyl 2-chloro-5-nitropyridine-4-carboxylate
CID 106206631
2-chloro-N-[(1-methylpiperidin-4-yl)methyl]-5-nitropyrimidin-4-amine
CID 114043245
2-chloro-4-[(6-methyl-3-pyridinyl)oxy]-5-nitropyrimidine
CID 114044250
4-(2-cyclopropylethoxy)-6-methyl-5-nitropyrimidin-2-amine
CID 106207578
5-chloro-4-(2-cyclopropylethoxy)pyrimidin-2-amine
CID 106207418

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-cyclopropylethoxy)-5-nitropyrimidine?
The IUPAC name of 2-chloro-4-(2-cyclopropylethoxy)-5-nitropyrimidine (CID 106201301) is 2-chloro-4-(2-cyclopropylethoxy)-5-nitropyrimidine.
What is the SMILES notation for 2-chloro-4-(2-cyclopropylethoxy)-5-nitropyrimidine?
The canonical SMILES for 2-chloro-4-(2-cyclopropylethoxy)-5-nitropyrimidine is O=[N+]([O-])c1cnc(Cl)nc1OCCC1CC1.
What is the InChIKey of 2-chloro-4-(2-cyclopropylethoxy)-5-nitropyrimidine?
The InChIKey is IMTZXXNSPVANPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O3/c10-9-11-5-7(13(14)15)8(12-9)16-4-3-6-1-2-6/h5-6H,1-4H2.
What are the key properties of 2-chloro-4-(2-cyclopropylethoxy)-5-nitropyrimidine?
2-chloro-4-(2-cyclopropylethoxy)-5-nitropyrimidine has a molecular weight of 243.65 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-cyclopropylethoxy)-5-nitropyrimidine is sourced from PubChem (CID 106201301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).