bis(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)methanone

C15H10Cl2N6O — CID 174701900

IUPACbis(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)methanone
SMILESCn1cc(C(=O)c2cn(C)c3ncnc(Cl)c23)c2c(Cl)ncnc21
InChIInChI=1S/C15H10Cl2N6O/c1-22-3-7(9-12(16)18-5-20-14(9)22)11(24)8-4-23(2)15-10(8)13(17)19-6-21-15/h3-6H,1-2H3
InChIKeyANWIOKZPDARKJY-UHFFFAOYSA-N
MW361.19 g/mol
LogP2.79
Rot. Bonds2

About bis(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)methanone

bis(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)methanone (PubChem CID 174701900) has the molecular formula C15H10Cl2N6O and a molecular weight of 361.19 g/mol. Its IUPAC name is bis(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)methanone.

Molecular Properties

Compound Namebis(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)methanone
PubChem CID174701900
Molecular FormulaC15H10Cl2N6O
Molecular Weight361.19 g/mol
Exact Mass360.03
IUPAC Namebis(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)methanone
SMILESCn1cc(C(=O)c2cn(C)c3ncnc(Cl)c23)c2c(Cl)ncnc21
InChIInChI=1S/C15H10Cl2N6O/c1-22-3-7(9-12(16)18-5-20-14(9)22)11(24)8-4-23(2)15-10(8)13(17)19-6-21-15/h3-6H,1-2H3
InChIKeyANWIOKZPDARKJY-UHFFFAOYSA-N
XLogP2.79
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.19
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze bis(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)methanone 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-(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)oxetan-3-ol
CID 169213116
methyl 5-chloro-7-methylpyrrolo[2,3-d]pyrimidine-4-carboxylate
CID 73425278
4-(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)aniline
CID 122512826
1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-3-(4-chlorophenyl)urea
CID 68907412
1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-3-(4-chloro-2-methylphenyl)urea
CID 68908358
1-(4-methylpyrrolo[2,3-d][1,3]oxazol-6-yl)ethanone
CID 137437687
4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-amine
CID 82375483
4-chloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine
CID 13125572
1-[3-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-phenylurea
CID 67219113
tert-butyl 5-bromo-4-chloropyrrolo[2,3-d]pyrimidine-7-carboxylate
CID 71306609
tert-butyl 4-chloro-5-iodopyrrolo[2,3-d]pyrimidine-7-carboxylate
CID 57416864
N-[3-[(5-benzoyl-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide
CID 58327692

Frequently Asked Questions

What is the IUPAC name of bis(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)methanone?
The IUPAC name of bis(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)methanone (CID 174701900) is bis(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)methanone.
What is the SMILES notation for bis(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)methanone?
The canonical SMILES for bis(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)methanone is Cn1cc(C(=O)c2cn(C)c3ncnc(Cl)c23)c2c(Cl)ncnc21.
What is the InChIKey of bis(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)methanone?
The InChIKey is ANWIOKZPDARKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N6O/c1-22-3-7(9-12(16)18-5-20-14(9)22)11(24)8-4-23(2)15-10(8)13(17)19-6-21-15/h3-6H,1-2H3.
What are the key properties of bis(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)methanone?
bis(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)methanone has a molecular weight of 361.19 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)methanone is sourced from PubChem (CID 174701900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).