(2,4-dimethylphenyl)-[7-(4-fluorophenyl)-2-(oxan-4-ylamino)pyrrolo[2,3-d]pyrimidin-6-yl]methanone

C26H25FN4O2 — CID 24989971

IUPAC(2,4-dimethylphenyl)-[7-(4-fluorophenyl)-2-(oxan-4-ylamino)pyrrolo[2,3-d]pyrimidin-6-yl]methanone
SMILESCc1ccc(C(=O)c2cc3cnc(NC4CCOCC4)nc3n2-c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C26H25FN4O2/c1-16-3-8-22(17(2)13-16)24(32)23-14-18-15-28-26(29-20-9-11-33-12-10-20)30-25(18)31(23)21-6-4-19(27)5-7-21/h3-8,13-15,20H,9-12H2,1-2H3,(H,28,29,30)
InChIKeyFVNQEYINSDKQFY-UHFFFAOYSA-N
MW444.51 g/mol
LogP5.00
Rot. Bonds5

About (2,4-dimethylphenyl)-[7-(4-fluorophenyl)-2-(oxan-4-ylamino)pyrrolo[2,3-d]pyrimidin-6-yl]methanone

(2,4-dimethylphenyl)-[7-(4-fluorophenyl)-2-(oxan-4-ylamino)pyrrolo[2,3-d]pyrimidin-6-yl]methanone (PubChem CID 24989971) has the molecular formula C26H25FN4O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-[7-(4-fluorophenyl)-2-(oxan-4-ylamino)pyrrolo[2,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-[7-(4-fluorophenyl)-2-(oxan-4-ylamino)pyrrolo[2,3-d]pyrimidin-6-yl]methanone
PubChem CID24989971
Molecular FormulaC26H25FN4O2
Molecular Weight444.51 g/mol
Exact Mass444.20
IUPAC Name(2,4-dimethylphenyl)-[7-(4-fluorophenyl)-2-(oxan-4-ylamino)pyrrolo[2,3-d]pyrimidin-6-yl]methanone
SMILESCc1ccc(C(=O)c2cc3cnc(NC4CCOCC4)nc3n2-c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C26H25FN4O2/c1-16-3-8-22(17(2)13-16)24(32)23-14-18-15-28-26(29-20-9-11-33-12-10-20)30-25(18)31(23)21-6-4-19(27)5-7-21/h3-8,13-15,20H,9-12H2,1-2H3,(H,28,29,30)
InChIKeyFVNQEYINSDKQFY-UHFFFAOYSA-N
XLogP5.00
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2,4-dimethylphenyl)-[7-(4-fluorophenyl)-2-(oxan-4-ylamino)pyrrolo[2,3-d]pyrimidin-6-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

(2,6-dimethylphenyl)-[7-(4-fluorophenyl)-2-(piperazin-1-ylamino)pyrrolo[2,3-d]pyrimidin-6-yl]methanone
CID 24794569
(4-fluorophenyl)-[7-(4-fluorophenyl)-2-(1-phenylethylamino)pyrrolo[2,3-d]pyrimidin-6-yl]methanone
CID 24990690
2,4-dimethyl-N-(oxan-4-yl)benzamide
CID 70845723
7-[4-[(dimethylamino)methyl]phenyl]-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 175959120
8-methyl-6-(2-methylphenyl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 162333954
4-[8-(4-fluoro-2-methylanilino)-2-(oxan-4-ylamino)purin-9-yl]cyclohexane-1-carboxamide
CID 121254081
4-[8-(4-fluoroanilino)-2-(oxan-4-ylamino)purin-9-yl]cyclohexane-1-carboxylic acid
CID 121254222
4-[8-(4-fluoroanilino)-2-(oxan-4-ylamino)purin-9-yl]cyclohexane-1-carboxamide
CID 121254567
6-(3-fluorophenoxy)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 23434573
2-(oxan-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 122178088
2-(cyclopropylamino)-6-(4-fluorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
CID 53333276
(2,4-dimethylphenyl)-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 42513573

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-[7-(4-fluorophenyl)-2-(oxan-4-ylamino)pyrrolo[2,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of (2,4-dimethylphenyl)-[7-(4-fluorophenyl)-2-(oxan-4-ylamino)pyrrolo[2,3-d]pyrimidin-6-yl]methanone (CID 24989971) is (2,4-dimethylphenyl)-[7-(4-fluorophenyl)-2-(oxan-4-ylamino)pyrrolo[2,3-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for (2,4-dimethylphenyl)-[7-(4-fluorophenyl)-2-(oxan-4-ylamino)pyrrolo[2,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (2,4-dimethylphenyl)-[7-(4-fluorophenyl)-2-(oxan-4-ylamino)pyrrolo[2,3-d]pyrimidin-6-yl]methanone is Cc1ccc(C(=O)c2cc3cnc(NC4CCOCC4)nc3n2-c2ccc(F)cc2)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-[7-(4-fluorophenyl)-2-(oxan-4-ylamino)pyrrolo[2,3-d]pyrimidin-6-yl]methanone?
The InChIKey is FVNQEYINSDKQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2/c1-16-3-8-22(17(2)13-16)24(32)23-14-18-15-28-26(29-20-9-11-33-12-10-20)30-25(18)31(23)21-6-4-19(27)5-7-21/h3-8,13-15,20H,9-12H2,1-2H3,(H,28,29,30).
What are the key properties of (2,4-dimethylphenyl)-[7-(4-fluorophenyl)-2-(oxan-4-ylamino)pyrrolo[2,3-d]pyrimidin-6-yl]methanone?
(2,4-dimethylphenyl)-[7-(4-fluorophenyl)-2-(oxan-4-ylamino)pyrrolo[2,3-d]pyrimidin-6-yl]methanone has a molecular weight of 444.51 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-[7-(4-fluorophenyl)-2-(oxan-4-ylamino)pyrrolo[2,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 24989971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).