2-methoxy-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C12H11N5O — CID 134518911

IUPAC2-methoxy-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1nc(N)c2c(-c3cccnc3)c[nH]c2n1
InChIInChI=1S/C12H11N5O/c1-18-12-16-10(13)9-8(6-15-11(9)17-12)7-3-2-4-14-5-7/h2-6H,1H3,(H3,13,15,16,17)
InChIKeyKKQPZTBUAYXUBT-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.61
Rot. Bonds2

About 2-methoxy-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

2-methoxy-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 134518911) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-methoxy-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methoxy-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID134518911
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name2-methoxy-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1nc(N)c2c(-c3cccnc3)c[nH]c2n1
InChIInChI=1S/C12H11N5O/c1-18-12-16-10(13)9-8(6-15-11(9)17-12)7-3-2-4-14-5-7/h2-6H,1H3,(H3,13,15,16,17)
InChIKeyKKQPZTBUAYXUBT-UHFFFAOYSA-N
XLogP1.61
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-5-pyridin-3-yl-7H-pyrrolo[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

3-(2,5-dimethoxy-4-pyridin-3-ylphenyl)pyridine
CID 156631933
3-(2-methoxy-3-pyridin-3-ylphenyl)pyridine
CID 46316374
4-methoxy-2-pyridin-3-ylaniline
CID 71445761
5-methyl-3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 170012021
3-(2-methoxyphenyl)pyridine
CID 4133297
methyl 6-methoxy-3-pyridin-3-ylpyridine-2-carboxylate
CID 46317643
N-[[6-(dimethylamino)-2-pyridinyl]methyl]-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 168933989
5-pyridin-3-ylpyrimidine-2,4-diamine
CID 118493821
methyl 6-oxo-5-pyridin-3-yl-1H-pyridine-3-carboxylate
CID 46317623
4-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155251412
methyl 6-fluoro-3-pyridin-3-ylpyridine-2-carboxylate
CID 46317611
methyl 4-methoxy-3-pyridin-3-ylbenzoate
CID 46317451

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-methoxy-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 134518911) is 2-methoxy-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methoxy-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-methoxy-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is COc1nc(N)c2c(-c3cccnc3)c[nH]c2n1.
What is the InChIKey of 2-methoxy-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is KKQPZTBUAYXUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-18-12-16-10(13)9-8(6-15-11(9)17-12)7-3-2-4-14-5-7/h2-6H,1H3,(H3,13,15,16,17).
What are the key properties of 2-methoxy-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
2-methoxy-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 241.25 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 134518911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).