1-phenyl-1-(7H-purin-6-ylsulfanyl)propan-2-amine

C14H15N5S — CID 62253975

IUPAC1-phenyl-1-(7H-purin-6-ylsulfanyl)propan-2-amine
SMILESCC(N)C(Sc1ncnc2nc[nH]c12)c1ccccc1
InChIInChI=1S/C14H15N5S/c1-9(15)12(10-5-3-2-4-6-10)20-14-11-13(17-7-16-11)18-8-19-14/h2-9,12H,15H2,1H3,(H,16,17,18,19)
InChIKeyDPXBRNQTRBVFNM-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.53
Rot. Bonds4

About 1-phenyl-1-(7H-purin-6-ylsulfanyl)propan-2-amine

1-phenyl-1-(7H-purin-6-ylsulfanyl)propan-2-amine (PubChem CID 62253975) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is 1-phenyl-1-(7H-purin-6-ylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-phenyl-1-(7H-purin-6-ylsulfanyl)propan-2-amine
PubChem CID62253975
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC Name1-phenyl-1-(7H-purin-6-ylsulfanyl)propan-2-amine
SMILESCC(N)C(Sc1ncnc2nc[nH]c12)c1ccccc1
InChIInChI=1S/C14H15N5S/c1-9(15)12(10-5-3-2-4-6-10)20-14-11-13(17-7-16-11)18-8-19-14/h2-9,12H,15H2,1H3,(H,16,17,18,19)
InChIKeyDPXBRNQTRBVFNM-UHFFFAOYSA-N
XLogP2.53
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methylfuran-2-yl)-1-(7H-purin-6-ylsulfanyl)propan-2-amine
CID 62255029
1-(7H-purin-6-ylsulfanyl)-1-pyridin-2-ylbutan-2-amine
CID 62253603
5-phenyl-2-[(1S)-1-(7H-purin-6-ylsulfanyl)ethyl]-1,3-oxazole
CID 95775864
(2R)-2-(7H-purin-6-ylsulfanyl)propanoic acid
CID 7644851
N-methyl-1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanamine
CID 64633270
2-(2-methylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanamine
CID 62253055
N-[(1S)-1-phenylethyl]-2-(7H-purin-6-ylsulfanyl)acetamide
CID 726078
1-(7H-purin-6-ylsulfanyl)-1-thiophen-3-ylbutan-2-amine
CID 62253229
2-[(1S)-1-(7H-purin-6-ylsulfanyl)ethyl]-3H-quinazolin-4-one
CID 136911416
(2R)-2-(7H-purin-6-ylsulfanyl)propanoate
CID 7644850
N-[(1R)-1-phenylethyl]-7H-purin-6-amine
CID 2155048
3-phenyl-2-(7H-purin-6-ylsulfanyl)propanoic acid
CID 60793479

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-(7H-purin-6-ylsulfanyl)propan-2-amine?
The IUPAC name of 1-phenyl-1-(7H-purin-6-ylsulfanyl)propan-2-amine (CID 62253975) is 1-phenyl-1-(7H-purin-6-ylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-phenyl-1-(7H-purin-6-ylsulfanyl)propan-2-amine?
The canonical SMILES for 1-phenyl-1-(7H-purin-6-ylsulfanyl)propan-2-amine is CC(N)C(Sc1ncnc2nc[nH]c12)c1ccccc1.
What is the InChIKey of 1-phenyl-1-(7H-purin-6-ylsulfanyl)propan-2-amine?
The InChIKey is DPXBRNQTRBVFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-9(15)12(10-5-3-2-4-6-10)20-14-11-13(17-7-16-11)18-8-19-14/h2-9,12H,15H2,1H3,(H,16,17,18,19).
What are the key properties of 1-phenyl-1-(7H-purin-6-ylsulfanyl)propan-2-amine?
1-phenyl-1-(7H-purin-6-ylsulfanyl)propan-2-amine has a molecular weight of 285.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-(7H-purin-6-ylsulfanyl)propan-2-amine is sourced from PubChem (CID 62253975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).