N-(2-methoxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine

C14H14N4O — CID 110875105

IUPACN-(2-methoxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1Nc1ncnc2c1ccn2C
InChIInChI=1S/C14H14N4O/c1-18-8-7-10-13(15-9-16-14(10)18)17-11-5-3-4-6-12(11)19-2/h3-9H,1-2H3,(H,15,16,17)
InChIKeyXLXYHESDUQDKPT-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.72
Rot. Bonds3

About N-(2-methoxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine

N-(2-methoxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110875105) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110875105
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-(2-methoxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1Nc1ncnc2c1ccn2C
InChIInChI=1S/C14H14N4O/c1-18-8-7-10-13(15-9-16-14(10)18)17-11-5-3-4-6-12(11)19-2/h3-9H,1-2H3,(H,15,16,17)
InChIKeyXLXYHESDUQDKPT-UHFFFAOYSA-N
XLogP2.72
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methoxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine 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

N-(2-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110875081
N-(4-chloro-2-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110875091
6-N-ethyl-4-N-(2-methoxyphenyl)-5-propylpyrimidine-4,6-diamine
CID 80768641
4-N-(2-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144325
6-ethyl-N-(2-methoxyphenyl)quinazolin-4-amine
CID 21002616
1-methyl-N-(2-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110875195
4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine
CID 110874996
N-(4-ethylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110875056
7-methyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 110875068
4-(2-methoxyanilino)quinazoline-7-carboxylic acid
CID 1414161
4-N-cyclopentyl-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19148201
4-N-(2-methoxyphenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5,6-triamine
CID 19142555

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-methoxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine (CID 110875105) is N-(2-methoxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine is COc1ccccc1Nc1ncnc2c1ccn2C.
What is the InChIKey of N-(2-methoxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is XLXYHESDUQDKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-18-8-7-10-13(15-9-16-14(10)18)17-11-5-3-4-6-12(11)19-2/h3-9H,1-2H3,(H,15,16,17).
What are the key properties of N-(2-methoxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
N-(2-methoxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 254.29 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110875105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).