1-(8-phenylpurin-9-yl)propan-2-amine

C14H15N5 — CID 82665271

IUPAC1-(8-phenylpurin-9-yl)propan-2-amine
SMILESCC(N)Cn1c(-c2ccccc2)nc2cncnc21
InChIInChI=1S/C14H15N5/c1-10(15)8-19-13(11-5-3-2-4-6-11)18-12-7-16-9-17-14(12)19/h2-7,9-10H,8,15H2,1H3
InChIKeyUBDBATJBBLOXIR-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.84
Rot. Bonds3

About 1-(8-phenylpurin-9-yl)propan-2-amine

1-(8-phenylpurin-9-yl)propan-2-amine (PubChem CID 82665271) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-(8-phenylpurin-9-yl)propan-2-amine.

Molecular Properties

Compound Name1-(8-phenylpurin-9-yl)propan-2-amine
PubChem CID82665271
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name1-(8-phenylpurin-9-yl)propan-2-amine
SMILESCC(N)Cn1c(-c2ccccc2)nc2cncnc21
InChIInChI=1S/C14H15N5/c1-10(15)8-19-13(11-5-3-2-4-6-11)18-12-7-16-9-17-14(12)19/h2-7,9-10H,8,15H2,1H3
InChIKeyUBDBATJBBLOXIR-UHFFFAOYSA-N
XLogP1.84
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methylpropyl)-2-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117164742
9-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-8-phenylpurine
CID 154648335
8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one
CID 3233076
2-methyl-3-(6-methyl-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propanenitrile
CID 82146414
N-methyl-N-propyl-8-pyridin-3-ylpurin-9-amine
CID 68522171
3-(6-methyl-2-phenylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061511
3-(2-methylpropyl)-2-phenyl-5-propylimidazol-4-amine
CID 62221197
4-(9-benzyl-6-propan-2-yloxypurin-8-yl)phenol
CID 171791650
9-benzyl-8-(2-ethoxyethenyl)purine
CID 86606865
6-chloro-1-(2-methylpropyl)-2-phenylbenzimidazole
CID 46310887
3,5-bis(2-methylpropyl)-2-phenylimidazol-4-amine
CID 62221198
3-ethyl-2-phenylquinazolin-4-one
CID 12626608

Frequently Asked Questions

What is the IUPAC name of 1-(8-phenylpurin-9-yl)propan-2-amine?
The IUPAC name of 1-(8-phenylpurin-9-yl)propan-2-amine (CID 82665271) is 1-(8-phenylpurin-9-yl)propan-2-amine.
What is the SMILES notation for 1-(8-phenylpurin-9-yl)propan-2-amine?
The canonical SMILES for 1-(8-phenylpurin-9-yl)propan-2-amine is CC(N)Cn1c(-c2ccccc2)nc2cncnc21.
What is the InChIKey of 1-(8-phenylpurin-9-yl)propan-2-amine?
The InChIKey is UBDBATJBBLOXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-10(15)8-19-13(11-5-3-2-4-6-11)18-12-7-16-9-17-14(12)19/h2-7,9-10H,8,15H2,1H3.
What are the key properties of 1-(8-phenylpurin-9-yl)propan-2-amine?
1-(8-phenylpurin-9-yl)propan-2-amine has a molecular weight of 253.31 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-phenylpurin-9-yl)propan-2-amine is sourced from PubChem (CID 82665271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).