2-chloro-5-methyl-4-(3-methyl-2-nitrophenoxy)pyrimidine

C12H10ClN3O3 — CID 79076039

IUPAC2-chloro-5-methyl-4-(3-methyl-2-nitrophenoxy)pyrimidine
SMILESCc1cnc(Cl)nc1Oc1cccc(C)c1[N+](=O)[O-]
InChIInChI=1S/C12H10ClN3O3/c1-7-4-3-5-9(10(7)16(17)18)19-11-8(2)6-14-12(13)15-11/h3-6H,1-2H3
InChIKeyLNRDINHFZNXNGI-UHFFFAOYSA-N
MW279.68 g/mol
LogP3.45
Rot. Bonds3

About 2-chloro-5-methyl-4-(3-methyl-2-nitrophenoxy)pyrimidine

2-chloro-5-methyl-4-(3-methyl-2-nitrophenoxy)pyrimidine (PubChem CID 79076039) has the molecular formula C12H10ClN3O3 and a molecular weight of 279.68 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-(3-methyl-2-nitrophenoxy)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-methyl-4-(3-methyl-2-nitrophenoxy)pyrimidine
PubChem CID79076039
Molecular FormulaC12H10ClN3O3
Molecular Weight279.68 g/mol
Exact Mass279.04
IUPAC Name2-chloro-5-methyl-4-(3-methyl-2-nitrophenoxy)pyrimidine
SMILESCc1cnc(Cl)nc1Oc1cccc(C)c1[N+](=O)[O-]
InChIInChI=1S/C12H10ClN3O3/c1-7-4-3-5-9(10(7)16(17)18)19-11-8(2)6-14-12(13)15-11/h3-6H,1-2H3
InChIKeyLNRDINHFZNXNGI-UHFFFAOYSA-N
XLogP3.45
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 53.45
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-5-methyl-4-(3-methyl-2-nitrophenoxy)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

5-chloro-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-amine
CID 80871149
2-chloro-5-methyl-4-(3-nitrophenoxy)pyrimidine
CID 79076239
3,5-dichloro-6-(3-methyl-2-nitrophenoxy)pyridin-2-amine
CID 102760816
2-chloro-4-(4,5-dichloro-2-nitrophenoxy)-5-methylpyrimidine
CID 107499651
2-chloro-4-(3-chloro-2-fluorophenoxy)-5-methylpyrimidine
CID 116689002
[5-bromo-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920594
5-fluoro-N-methyl-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-amine
CID 80874791
5-methyl-4-(3-methyl-2-nitrophenoxy)quinazoline
CID 133391332
8-methyl-4-(3-methyl-2-nitrophenoxy)quinazoline
CID 133391380
1-methyl-2-nitro-3-(2-nitrophenoxy)benzene
CID 133391393
2-(3-methyl-2-nitrophenoxy)phenol
CID 114041918
4-(2-bromo-3-nitrophenoxy)-2,5-dichloropyrimidine
CID 113497815

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-(3-methyl-2-nitrophenoxy)pyrimidine?
The IUPAC name of 2-chloro-5-methyl-4-(3-methyl-2-nitrophenoxy)pyrimidine (CID 79076039) is 2-chloro-5-methyl-4-(3-methyl-2-nitrophenoxy)pyrimidine.
What is the SMILES notation for 2-chloro-5-methyl-4-(3-methyl-2-nitrophenoxy)pyrimidine?
The canonical SMILES for 2-chloro-5-methyl-4-(3-methyl-2-nitrophenoxy)pyrimidine is Cc1cnc(Cl)nc1Oc1cccc(C)c1[N+](=O)[O-].
What is the InChIKey of 2-chloro-5-methyl-4-(3-methyl-2-nitrophenoxy)pyrimidine?
The InChIKey is LNRDINHFZNXNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3/c1-7-4-3-5-9(10(7)16(17)18)19-11-8(2)6-14-12(13)15-11/h3-6H,1-2H3.
What are the key properties of 2-chloro-5-methyl-4-(3-methyl-2-nitrophenoxy)pyrimidine?
2-chloro-5-methyl-4-(3-methyl-2-nitrophenoxy)pyrimidine has a molecular weight of 279.68 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-(3-methyl-2-nitrophenoxy)pyrimidine is sourced from PubChem (CID 79076039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).