N-(4-fluoro-3-methylphenyl)-7-(3-fluorophenyl)pyrrolo[2,3-d]pyrimidin-2-amine

C19H14F2N4 — CID 141245795

IUPACN-(4-fluoro-3-methylphenyl)-7-(3-fluorophenyl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1cc(Nc2ncc3ccn(-c4cccc(F)c4)c3n2)ccc1F
InChIInChI=1S/C19H14F2N4/c1-12-9-15(5-6-17(12)21)23-19-22-11-13-7-8-25(18(13)24-19)16-4-2-3-14(20)10-16/h2-11H,1H3,(H,22,23,24)
InChIKeyOOBCMBNSFAFEEN-UHFFFAOYSA-N
MW336.35 g/mol
LogP4.75
Rot. Bonds3

About N-(4-fluoro-3-methylphenyl)-7-(3-fluorophenyl)pyrrolo[2,3-d]pyrimidin-2-amine

N-(4-fluoro-3-methylphenyl)-7-(3-fluorophenyl)pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 141245795) has the molecular formula C19H14F2N4 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-7-(3-fluorophenyl)pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-7-(3-fluorophenyl)pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID141245795
Molecular FormulaC19H14F2N4
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN-(4-fluoro-3-methylphenyl)-7-(3-fluorophenyl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1cc(Nc2ncc3ccn(-c4cccc(F)c4)c3n2)ccc1F
InChIInChI=1S/C19H14F2N4/c1-12-9-15(5-6-17(12)21)23-19-22-11-13-7-8-25(18(13)24-19)16-4-2-3-14(20)10-16/h2-11H,1H3,(H,22,23,24)
InChIKeyOOBCMBNSFAFEEN-UHFFFAOYSA-N
XLogP4.75
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxy-4-methylphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-2-amine
CID 141245788
N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[7-(3-fluorophenyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 122474616
2-(4-fluoro-3-methylanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one
CID 10267671
[4-[2-(3-chloro-4-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]-thiomorpholin-4-ylmethanediol
CID 68990060
N-[3-(4-methylpiperazin-1-yl)phenyl]-7-(3-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 23646635
N-[3-[2-[3-fluoro-4-[[4-(methylamino)piperidin-1-yl]methyl]anilino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-2-methylpropane-2-sulfonamide
CID 153465741
N-(3-methylsulfanylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
CID 11313605
N-[3-[2-(3,5-difluoro-4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-2-methylpropane-2-sulfonamide
CID 153465900
7-(4-amino-3,5-difluorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 89160292
7-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 141245796
3-(3-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]triazolo[4,5-d]pyrimidin-5-amine
CID 11372644
N-[3-[(4-cyclopropylpiperazin-1-yl)methyl]-4-methylphenyl]-7-(3-fluoro-4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 174610880

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-7-(3-fluorophenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-7-(3-fluorophenyl)pyrrolo[2,3-d]pyrimidin-2-amine (CID 141245795) is N-(4-fluoro-3-methylphenyl)-7-(3-fluorophenyl)pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-7-(3-fluorophenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-7-(3-fluorophenyl)pyrrolo[2,3-d]pyrimidin-2-amine is Cc1cc(Nc2ncc3ccn(-c4cccc(F)c4)c3n2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-7-(3-fluorophenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is OOBCMBNSFAFEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4/c1-12-9-15(5-6-17(12)21)23-19-22-11-13-7-8-25(18(13)24-19)16-4-2-3-14(20)10-16/h2-11H,1H3,(H,22,23,24).
What are the key properties of N-(4-fluoro-3-methylphenyl)-7-(3-fluorophenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
N-(4-fluoro-3-methylphenyl)-7-(3-fluorophenyl)pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 336.35 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-7-(3-fluorophenyl)pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 141245795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).