2-chloro-4-methoxy-7-methyl-5H-pyrrolo[3,2-d]pyrimidine;ethane

C10H14ClN3O — CID 155571653

IUPAC2-chloro-4-methoxy-7-methyl-5H-pyrrolo[3,2-d]pyrimidine;ethane
SMILESCC.COc1nc(Cl)nc2c(C)c[nH]c12
InChIInChI=1S/C8H8ClN3O.C2H6/c1-4-3-10-6-5(4)11-8(9)12-7(6)13-2;1-2/h3,10H,1-2H3;1-2H3
InChIKeyLQWJHTDYCHCJIB-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.95
Rot. Bonds1

About 2-chloro-4-methoxy-7-methyl-5H-pyrrolo[3,2-d]pyrimidine;ethane

2-chloro-4-methoxy-7-methyl-5H-pyrrolo[3,2-d]pyrimidine;ethane (PubChem CID 155571653) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-4-methoxy-7-methyl-5H-pyrrolo[3,2-d]pyrimidine;ethane.

Molecular Properties

Compound Name2-chloro-4-methoxy-7-methyl-5H-pyrrolo[3,2-d]pyrimidine;ethane
PubChem CID155571653
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name2-chloro-4-methoxy-7-methyl-5H-pyrrolo[3,2-d]pyrimidine;ethane
SMILESCC.COc1nc(Cl)nc2c(C)c[nH]c12
InChIInChI=1S/C8H8ClN3O.C2H6/c1-4-3-10-6-5(4)11-8(9)12-7(6)13-2;1-2/h3,10H,1-2H3;1-2H3
InChIKeyLQWJHTDYCHCJIB-UHFFFAOYSA-N
XLogP2.95
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-methoxy-7-methyl-5H-pyrrolo[3,2-d]pyrimidine;ethane 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

2,5-dichloro-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine
CID 135374250
2-chloro-4-methoxy-5-methylpyrimidine
CID 11051933
2,4-dichloro-6-methoxy-5-methylpyrimidine
CID 118141128
5-bromo-3,7-dimethyl-1H-pyrrolo[3,2-b]pyridine
CID 130113855
2-chloro-4-methoxy-6-methyl-5-nitropyrimidine;ethane
CID 142192170
2-chloro-7-methyl-5H-pyrrolo[2,3-b]pyrazine;ethane;methanamine
CID 142547373
ethane;7-methoxy-3-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine
CID 170736977
4-methoxy-9-methyl-3H-imidazo[4,5-c]quinoline
CID 70483225
2-chloro-8-methoxy-4-methylquinazoline
CID 59199295
2-chloro-6-(2,3,5-trimethylphenoxy)-7H-purine
CID 104786959
methyl 3-(2,4-dimethoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3-oxopropanoate
CID 82667583
6-chloro-3-methoxy-4-methylpyridazine;ethane
CID 143997132

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-7-methyl-5H-pyrrolo[3,2-d]pyrimidine;ethane?
The IUPAC name of 2-chloro-4-methoxy-7-methyl-5H-pyrrolo[3,2-d]pyrimidine;ethane (CID 155571653) is 2-chloro-4-methoxy-7-methyl-5H-pyrrolo[3,2-d]pyrimidine;ethane.
What is the SMILES notation for 2-chloro-4-methoxy-7-methyl-5H-pyrrolo[3,2-d]pyrimidine;ethane?
The canonical SMILES for 2-chloro-4-methoxy-7-methyl-5H-pyrrolo[3,2-d]pyrimidine;ethane is CC.COc1nc(Cl)nc2c(C)c[nH]c12.
What is the InChIKey of 2-chloro-4-methoxy-7-methyl-5H-pyrrolo[3,2-d]pyrimidine;ethane?
The InChIKey is LQWJHTDYCHCJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O.C2H6/c1-4-3-10-6-5(4)11-8(9)12-7(6)13-2;1-2/h3,10H,1-2H3;1-2H3.
What are the key properties of 2-chloro-4-methoxy-7-methyl-5H-pyrrolo[3,2-d]pyrimidine;ethane?
2-chloro-4-methoxy-7-methyl-5H-pyrrolo[3,2-d]pyrimidine;ethane has a molecular weight of 227.69 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-7-methyl-5H-pyrrolo[3,2-d]pyrimidine;ethane is sourced from PubChem (CID 155571653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).