4-N-phenyl-2-N-(1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

C15H13N7 — CID 155520390

IUPAC4-N-phenyl-2-N-(1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESc1ccc(Nc2nc(Nc3cn[nH]c3)nc3[nH]ccc23)cc1
InChIInChI=1S/C15H13N7/c1-2-4-10(5-3-1)19-14-12-6-7-16-13(12)21-15(22-14)20-11-8-17-18-9-11/h1-9H,(H,17,18)(H3,16,19,20,21,22)
InChIKeyRQGUXGVYHZNCNK-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.17
Rot. Bonds4

About 4-N-phenyl-2-N-(1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

4-N-phenyl-2-N-(1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 155520390) has the molecular formula C15H13N7 and a molecular weight of 291.32 g/mol. Its IUPAC name is 4-N-phenyl-2-N-(1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-phenyl-2-N-(1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID155520390
Molecular FormulaC15H13N7
Molecular Weight291.32 g/mol
Exact Mass291.12
IUPAC Name4-N-phenyl-2-N-(1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESc1ccc(Nc2nc(Nc3cn[nH]c3)nc3[nH]ccc23)cc1
InChIInChI=1S/C15H13N7/c1-2-4-10(5-3-1)19-14-12-6-7-16-13(12)21-15(22-14)20-11-8-17-18-9-11/h1-9H,(H,17,18)(H3,16,19,20,21,22)
InChIKeyRQGUXGVYHZNCNK-UHFFFAOYSA-N
XLogP3.17
TPSA94.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-phenyl-2-N-(1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-phenyl-2-N-(1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 155520390) is 4-N-phenyl-2-N-(1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-phenyl-2-N-(1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-phenyl-2-N-(1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is c1ccc(Nc2nc(Nc3cn[nH]c3)nc3[nH]ccc23)cc1.
What is the InChIKey of 4-N-phenyl-2-N-(1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is RQGUXGVYHZNCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7/c1-2-4-10(5-3-1)19-14-12-6-7-16-13(12)21-15(22-14)20-11-8-17-18-9-11/h1-9H,(H,17,18)(H3,16,19,20,21,22).
What are the key properties of 4-N-phenyl-2-N-(1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
4-N-phenyl-2-N-(1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 291.32 g/mol, XLogP of 3.17, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-phenyl-2-N-(1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 155520390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).