6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

C19H16FN5O — CID 86580361

IUPAC6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1ccc(-c2c(-c3ccc(F)cc3)[nH]c3nc(N)nc(N)c23)cc1
InChIInChI=1S/C19H16FN5O/c1-26-13-8-4-10(5-9-13)14-15-17(21)24-19(22)25-18(15)23-16(14)11-2-6-12(20)7-3-11/h2-9H,1H3,(H5,21,22,23,24,25)
InChIKeyMTCWKPIXTKCOED-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.60
Rot. Bonds3

About 6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 86580361) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID86580361
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1ccc(-c2c(-c3ccc(F)cc3)[nH]c3nc(N)nc(N)c23)cc1
InChIInChI=1S/C19H16FN5O/c1-26-13-8-4-10(5-9-13)14-15-17(21)24-19(22)25-18(15)23-16(14)11-2-6-12(20)7-3-11/h2-9H,1H3,(H5,21,22,23,24,25)
InChIKeyMTCWKPIXTKCOED-UHFFFAOYSA-N
XLogP3.60
TPSA102.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 86580361) is 6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is COc1ccc(-c2c(-c3ccc(F)cc3)[nH]c3nc(N)nc(N)c23)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is MTCWKPIXTKCOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c1-26-13-8-4-10(5-9-13)14-15-17(21)24-19(22)25-18(15)23-16(14)11-2-6-12(20)7-3-11/h2-9H,1H3,(H5,21,22,23,24,25).
What are the key properties of 6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 349.37 g/mol, XLogP of 3.60, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 86580361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).