5-phenyl-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine

C16H17N5 — CID 18792962

IUPAC5-phenyl-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccccc1)cn2C1CCNC1
InChIInChI=1S/C16H17N5/c17-15-14-13(11-4-2-1-3-5-11)9-21(12-6-7-18-8-12)16(14)20-10-19-15/h1-5,9-10,12,18H,6-8H2,(H2,17,19,20)
InChIKeyXNIBNLVJQPSPNT-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.21
Rot. Bonds2

About 5-phenyl-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine

5-phenyl-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 18792962) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 5-phenyl-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-phenyl-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID18792962
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name5-phenyl-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccccc1)cn2C1CCNC1
InChIInChI=1S/C16H17N5/c17-15-14-13(11-4-2-1-3-5-11)9-21(12-6-7-18-8-12)16(14)20-10-19-15/h1-5,9-10,12,18H,6-8H2,(H2,17,19,20)
InChIKeyXNIBNLVJQPSPNT-UHFFFAOYSA-N
XLogP2.21
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Rolodine
CID 5359646
CP-154526
CID 5311055
7-benzyl-5,6-dimethyl-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 3000181
2-[Trans-(4-Aminocyclohexyl)Amino]-6-(Benzyl-Amino)-9-Cyclopentylpurine
CID 3543
3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine
CID 10249182
5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 10537176
n-(2-(1h-Indol-3-yl)ethyl)-9-isopropyl-2-(5-methylpyridin-3-yl)-9h-purin-6-amine
CID 46216378
1H-Purin-6-amine, N-(2-(1H-indol-3-yl)ethyl)-
CID 165348
Cgp-62464
CID 354471
7-(4-fluorophenyl)-N-(2-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 3257208
Pyrrolopyrimidine, 13h
CID 11996315
Pyrrolopyrimidine, 13a
CID 11996316

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-phenyl-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine (CID 18792962) is 5-phenyl-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-phenyl-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-phenyl-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1ccccc1)cn2C1CCNC1.
What is the InChIKey of 5-phenyl-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is XNIBNLVJQPSPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c17-15-14-13(11-4-2-1-3-5-11)9-21(12-6-7-18-8-12)16(14)20-10-19-15/h1-5,9-10,12,18H,6-8H2,(H2,17,19,20).
What are the key properties of 5-phenyl-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine?
5-phenyl-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 279.35 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18792962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).