2,5-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C18H14N4 — CID 66786947

IUPAC2,5-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccccc2)nc2[nH]cc(-c3ccccc3)c12
InChIInChI=1S/C18H14N4/c19-16-15-14(12-7-3-1-4-8-12)11-20-18(15)22-17(21-16)13-9-5-2-6-10-13/h1-11H,(H3,19,20,21,22)
InChIKeyCMTHNMBRJUSDHV-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.87
Rot. Bonds2

About 2,5-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

2,5-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 66786947) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2,5-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID66786947
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name2,5-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccccc2)nc2[nH]cc(-c3ccccc3)c12
InChIInChI=1S/C18H14N4/c19-16-15-14(12-7-3-1-4-8-12)11-20-18(15)22-17(21-16)13-9-5-2-6-10-13/h1-11H,(H3,19,20,21,22)
InChIKeyCMTHNMBRJUSDHV-UHFFFAOYSA-N
XLogP3.87
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155251412
2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 71122482
4-methoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 84728048
4-chloro-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine
CID 11499595
2-methoxy-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 134518911
5-quinolin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride
CID 118596411
5-chloro-4-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 83870895
4-(4-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 59411368
4-amino-6-methyl-2-phenyl-8H-pteridin-7-one
CID 125495567
2-(4-fluorophenyl)-5-methyl-6-phenylpyrimidin-4-amine
CID 104846735
3-(4-benzylpiperazin-1-yl)-6-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 110171471
5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-amine
CID 67266146

Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2,5-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 66786947) is 2,5-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2,5-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2,5-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Nc1nc(-c2ccccc2)nc2[nH]cc(-c3ccccc3)c12.
What is the InChIKey of 2,5-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is CMTHNMBRJUSDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c19-16-15-14(12-7-3-1-4-8-12)11-20-18(15)22-17(21-16)13-9-5-2-6-10-13/h1-11H,(H3,19,20,21,22).
What are the key properties of 2,5-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
2,5-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 286.34 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 66786947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).