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

C17H19N5 — CID 54533959

IUPAC5-phenyl-7-piperidin-4-ylpyrrolo[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2c(C3CCNCC3)cn(-c3ccccc3)c12
InChIInChI=1S/C17H19N5/c18-17-16-15(20-11-21-17)14(12-6-8-19-9-7-12)10-22(16)13-4-2-1-3-5-13/h1-5,10-12,19H,6-9H2,(H2,18,20,21)
InChIKeyYYLXOUFXZXSNKW-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.47
Rot. Bonds2

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

5-phenyl-7-piperidin-4-ylpyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 54533959) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-phenyl-7-piperidin-4-ylpyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-phenyl-7-piperidin-4-ylpyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID54533959
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name5-phenyl-7-piperidin-4-ylpyrrolo[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2c(C3CCNCC3)cn(-c3ccccc3)c12
InChIInChI=1S/C17H19N5/c18-17-16-15(20-11-21-17)14(12-6-8-19-9-7-12)10-22(16)13-4-2-1-3-5-13/h1-5,10-12,19H,6-9H2,(H2,18,20,21)
InChIKeyYYLXOUFXZXSNKW-UHFFFAOYSA-N
XLogP2.47
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-(4-amino-5-phenylpyrrolo[3,2-d]pyrimidin-7-yl)cyclopentan-1-ol
CID 54246096
4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclohexan-1-one;ethane
CID 156857475
7-[5-(methoxymethyl)pyrrolidin-3-yl]-5-phenylpyrrolo[3,2-d]pyrimidin-4-amine
CID 67702236
4-[4-amino-7-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolo[3,2-d]pyrimidin-5-yl]phenol
CID 118025950
3-[4-amino-5-(2-phenylquinolin-7-yl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclobutan-1-ol
CID 66675899
4-[4-amino-7-(1-cyanopyrrolidin-3-yl)pyrrolo[3,2-d]pyrimidin-5-yl]benzamide
CID 145011106
5-phenyl-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 150755871
acetic acid;N-[4-(7-amino-3-piperidin-4-ylpyrazolo[4,5-d]pyrimidin-1-yl)phenyl]benzenesulfonamide
CID 86590019
4-(3-ethyl-1-phenylpyrazol-4-yl)piperidine
CID 174757890
4-(1-phenyl-4,5-dihydroimidazol-2-yl)piperidine
CID 59511205
1-phenyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 157234763
ethane;3-methyl-1-phenylpyrazolo[4,5-d]pyrimidin-7-amine
CID 145011169

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-7-piperidin-4-ylpyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 5-phenyl-7-piperidin-4-ylpyrrolo[3,2-d]pyrimidin-4-amine (CID 54533959) is 5-phenyl-7-piperidin-4-ylpyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 5-phenyl-7-piperidin-4-ylpyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 5-phenyl-7-piperidin-4-ylpyrrolo[3,2-d]pyrimidin-4-amine is Nc1ncnc2c(C3CCNCC3)cn(-c3ccccc3)c12.
What is the InChIKey of 5-phenyl-7-piperidin-4-ylpyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is YYLXOUFXZXSNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c18-17-16-15(20-11-21-17)14(12-6-8-19-9-7-12)10-22(16)13-4-2-1-3-5-13/h1-5,10-12,19H,6-9H2,(H2,18,20,21).
What are the key properties of 5-phenyl-7-piperidin-4-ylpyrrolo[3,2-d]pyrimidin-4-amine?
5-phenyl-7-piperidin-4-ylpyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 293.37 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-7-piperidin-4-ylpyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 54533959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).