N-[(1R)-1-phenylethyl]-7H-purin-6-amine

C13H13N5 — CID 2155048

IUPACN-[(1R)-1-phenylethyl]-7H-purin-6-amine
SMILESC[C@@H](Nc1ncnc2nc[nH]c12)c1ccccc1
InChIInChI=1S/C13H13N5/c1-9(10-5-3-2-4-6-10)18-13-11-12(15-7-14-11)16-8-17-13/h2-9H,1H3,(H2,14,15,16,17,18)/t9-/m1/s1
InChIKeyOPBOKLRORBKBAN-SECBINFHSA-N
MW239.28 g/mol
LogP2.53
Rot. Bonds3

About N-[(1R)-1-phenylethyl]-7H-purin-6-amine

N-[(1R)-1-phenylethyl]-7H-purin-6-amine (PubChem CID 2155048) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-7H-purin-6-amine
PubChem CID2155048
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC NameN-[(1R)-1-phenylethyl]-7H-purin-6-amine
SMILESC[C@@H](Nc1ncnc2nc[nH]c12)c1ccccc1
InChIInChI=1S/C13H13N5/c1-9(10-5-3-2-4-6-10)18-13-11-12(15-7-14-11)16-8-17-13/h2-9H,1H3,(H2,14,15,16,17,18)/t9-/m1/s1
InChIKeyOPBOKLRORBKBAN-SECBINFHSA-N
XLogP2.53
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2,2-dimethyl-1-phenylpropyl]-7H-purin-6-amine
CID 69097613
N-[(1R)-1-phenylethyl]-1H-imidazo[4,5-c]pyridin-4-amine;N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-(2-phenylpropyl)-7H-purin-6-amine
CID 164967090
1-phenyl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 63761376
N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-7H-purin-6-amine
CID 47984131
N-[1-(3-phenyl-1H-benzimidazol-3-ium-2-yl)ethyl]-7H-purin-6-amine
CID 123434309
2-[1-(7H-purin-6-ylamino)ethyl]-3H-quinazolin-4-one
CID 136602511
3-[(1S)-1-phenylethyl]-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]pyrrolo[1,2-a][1,3,5]triazin-4-one
CID 70979544
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-7H-purin-6-amine
CID 94145841
N-but-3-yn-2-yl-7H-purin-6-amine
CID 114417890
3-methyl-2-(7H-purin-6-ylamino)butanoic acid
CID 4136995
N-[(1R)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-7H-purin-6-amine
CID 94432733
N-[1-[3-phenyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine
CID 70980277

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-7H-purin-6-amine?
The IUPAC name of N-[(1R)-1-phenylethyl]-7H-purin-6-amine (CID 2155048) is N-[(1R)-1-phenylethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-7H-purin-6-amine?
The canonical SMILES for N-[(1R)-1-phenylethyl]-7H-purin-6-amine is C[C@@H](Nc1ncnc2nc[nH]c12)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-7H-purin-6-amine?
The InChIKey is OPBOKLRORBKBAN-SECBINFHSA-N. The full InChI is InChI=1S/C13H13N5/c1-9(10-5-3-2-4-6-10)18-13-11-12(15-7-14-11)16-8-17-13/h2-9H,1H3,(H2,14,15,16,17,18)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-7H-purin-6-amine?
N-[(1R)-1-phenylethyl]-7H-purin-6-amine has a molecular weight of 239.28 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-7H-purin-6-amine is sourced from PubChem (CID 2155048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).