N-(3-methoxy-4-methylphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-2-amine

C20H18N4O — CID 141245788

IUPACN-(3-methoxy-4-methylphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1cc(Nc2ncc3ccn(-c4ccccc4)c3n2)ccc1C
InChIInChI=1S/C20H18N4O/c1-14-8-9-16(12-18(14)25-2)22-20-21-13-15-10-11-24(19(15)23-20)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,21,22,23)
InChIKeyCTBCVTMLCFQDIR-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.48
Rot. Bonds4

About N-(3-methoxy-4-methylphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-2-amine

N-(3-methoxy-4-methylphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 141245788) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(3-methoxy-4-methylphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methoxy-4-methylphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID141245788
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN-(3-methoxy-4-methylphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1cc(Nc2ncc3ccn(-c4ccccc4)c3n2)ccc1C
InChIInChI=1S/C20H18N4O/c1-14-8-9-16(12-18(14)25-2)22-20-21-13-15-10-11-24(19(15)23-20)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,21,22,23)
InChIKeyCTBCVTMLCFQDIR-UHFFFAOYSA-N
XLogP4.48
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluoro-3-methylphenyl)-7-(3-fluorophenyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 141245795
2-amino-5-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoic acid
CID 11293467
N-(2-aminoethyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide
CID 11465388
7-[3-(2-aminoprop-2-enyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;ethane;propan-1-ol
CID 143094942
methyl 2-[[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoyl]amino]acetate
CID 58973850
N-[3-[2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-2-methylpropane-2-sulfonamide
CID 153465913
N-(1-methylpiperidin-4-yl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide
CID 11191555
methyl 4-oxo-6-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]hexanoate
CID 123936483
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-phenylpurin-2-amine
CID 178075687
N-(3-methylsulfanylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
CID 11313605
N-methyl-7-(2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 175930259
N-(4-methoxy-3-methylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine
CID 163936403

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-4-methylphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-(3-methoxy-4-methylphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-2-amine (CID 141245788) is N-(3-methoxy-4-methylphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(3-methoxy-4-methylphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(3-methoxy-4-methylphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-2-amine is COc1cc(Nc2ncc3ccn(-c4ccccc4)c3n2)ccc1C.
What is the InChIKey of N-(3-methoxy-4-methylphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is CTBCVTMLCFQDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-14-8-9-16(12-18(14)25-2)22-20-21-13-15-10-11-24(19(15)23-20)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,21,22,23).
What are the key properties of N-(3-methoxy-4-methylphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-2-amine?
N-(3-methoxy-4-methylphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 330.39 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-4-methylphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 141245788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).