4-chloro-6-(methoxymethyl)-2-(2-methyl-5-nitrophenyl)pyrimidine

C13H12ClN3O3 — CID 62319606

IUPAC4-chloro-6-(methoxymethyl)-2-(2-methyl-5-nitrophenyl)pyrimidine
SMILESCOCc1cc(Cl)nc(-c2cc([N+](=O)[O-])ccc2C)n1
InChIInChI=1S/C13H12ClN3O3/c1-8-3-4-10(17(18)19)6-11(8)13-15-9(7-20-2)5-12(14)16-13/h3-6H,7H2,1-2H3
InChIKeyCEFATPAWQIKWFL-UHFFFAOYSA-N
MW293.71 g/mol
LogP3.16
Rot. Bonds4

About 4-chloro-6-(methoxymethyl)-2-(2-methyl-5-nitrophenyl)pyrimidine

4-chloro-6-(methoxymethyl)-2-(2-methyl-5-nitrophenyl)pyrimidine (PubChem CID 62319606) has the molecular formula C13H12ClN3O3 and a molecular weight of 293.71 g/mol. Its IUPAC name is 4-chloro-6-(methoxymethyl)-2-(2-methyl-5-nitrophenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(methoxymethyl)-2-(2-methyl-5-nitrophenyl)pyrimidine
PubChem CID62319606
Molecular FormulaC13H12ClN3O3
Molecular Weight293.71 g/mol
Exact Mass293.06
IUPAC Name4-chloro-6-(methoxymethyl)-2-(2-methyl-5-nitrophenyl)pyrimidine
SMILESCOCc1cc(Cl)nc(-c2cc([N+](=O)[O-])ccc2C)n1
InChIInChI=1S/C13H12ClN3O3/c1-8-3-4-10(17(18)19)6-11(8)13-15-9(7-20-2)5-12(14)16-13/h3-6H,7H2,1-2H3
InChIKeyCEFATPAWQIKWFL-UHFFFAOYSA-N
XLogP3.16
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 53.16
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 4-chloro-6-(methoxymethyl)-2-(2-methyl-5-nitrophenyl)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

4,6-dichloro-5-iodo-2-(2-methyl-5-nitrophenyl)pyrimidine
CID 66314762
N-methyl-2-(2-methyl-5-nitrophenyl)-6-propylpyrimidin-4-amine
CID 62190372
2-chloro-6-(2-methyl-5-nitrophenyl)pyrazine
CID 168929606
3-(2-methyl-5-nitrophenyl)-1,2,4-oxadiazol-5-amine
CID 62469803
5-(2-chloroethyl)-3-(2-methyl-5-nitrophenyl)-1,2,4-oxadiazole
CID 62099503
3-(chloromethyl)-4-(2-methoxyethyl)-5-(2-methyl-5-nitrophenyl)-1,2,4-triazole
CID 115397454
3-chloro-5-(2-methyl-5-nitrophenyl)-1,2,4-oxadiazole
CID 112571859
N-ethyl-5-fluoro-6-methyl-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine
CID 66000791
3,6-dichloro-2-[(2-methyl-5-nitrophenoxy)methyl]pyridine
CID 62886670
5-(1-chloroethyl)-4-methyl-2-(2-methyl-5-nitrophenyl)pyrimidine
CID 62771216
3-(2-methyl-5-nitrophenyl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 55096432
1,3-dimethoxy-2-(2-methyl-5-nitrophenyl)benzene
CID 173253076

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(methoxymethyl)-2-(2-methyl-5-nitrophenyl)pyrimidine?
The IUPAC name of 4-chloro-6-(methoxymethyl)-2-(2-methyl-5-nitrophenyl)pyrimidine (CID 62319606) is 4-chloro-6-(methoxymethyl)-2-(2-methyl-5-nitrophenyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(methoxymethyl)-2-(2-methyl-5-nitrophenyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(methoxymethyl)-2-(2-methyl-5-nitrophenyl)pyrimidine is COCc1cc(Cl)nc(-c2cc([N+](=O)[O-])ccc2C)n1.
What is the InChIKey of 4-chloro-6-(methoxymethyl)-2-(2-methyl-5-nitrophenyl)pyrimidine?
The InChIKey is CEFATPAWQIKWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3/c1-8-3-4-10(17(18)19)6-11(8)13-15-9(7-20-2)5-12(14)16-13/h3-6H,7H2,1-2H3.
What are the key properties of 4-chloro-6-(methoxymethyl)-2-(2-methyl-5-nitrophenyl)pyrimidine?
4-chloro-6-(methoxymethyl)-2-(2-methyl-5-nitrophenyl)pyrimidine has a molecular weight of 293.71 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(methoxymethyl)-2-(2-methyl-5-nitrophenyl)pyrimidine is sourced from PubChem (CID 62319606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).