2-amino-4-(1H-imidazol-2-ylmethylsulfanyl)-6-phenylpyrimidine-5-carbonitrile

C15H12N6S — CID 166631187

IUPAC2-amino-4-(1H-imidazol-2-ylmethylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
SMILESN#Cc1c(SCc2ncc[nH]2)nc(N)nc1-c1ccccc1
InChIInChI=1S/C15H12N6S/c16-8-11-13(10-4-2-1-3-5-10)20-15(17)21-14(11)22-9-12-18-6-7-19-12/h1-7H,9H2,(H,18,19)(H2,17,20,21)
InChIKeyVNVKLVVDRZDUDB-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.61
Rot. Bonds4

About 2-amino-4-(1H-imidazol-2-ylmethylsulfanyl)-6-phenylpyrimidine-5-carbonitrile

2-amino-4-(1H-imidazol-2-ylmethylsulfanyl)-6-phenylpyrimidine-5-carbonitrile (PubChem CID 166631187) has the molecular formula C15H12N6S and a molecular weight of 308.37 g/mol. Its IUPAC name is 2-amino-4-(1H-imidazol-2-ylmethylsulfanyl)-6-phenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(1H-imidazol-2-ylmethylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
PubChem CID166631187
Molecular FormulaC15H12N6S
Molecular Weight308.37 g/mol
Exact Mass308.08
IUPAC Name2-amino-4-(1H-imidazol-2-ylmethylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
SMILESN#Cc1c(SCc2ncc[nH]2)nc(N)nc1-c1ccccc1
InChIInChI=1S/C15H12N6S/c16-8-11-13(10-4-2-1-3-5-10)20-15(17)21-14(11)22-9-12-18-6-7-19-12/h1-7H,9H2,(H,18,19)(H2,17,20,21)
InChIKeyVNVKLVVDRZDUDB-UHFFFAOYSA-N
XLogP2.61
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1H-imidazol-2-ylmethylsulfanyl)-6-phenylpyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-(1H-imidazol-2-ylmethylsulfanyl)-6-phenylpyrimidine-5-carbonitrile (CID 166631187) is 2-amino-4-(1H-imidazol-2-ylmethylsulfanyl)-6-phenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-(1H-imidazol-2-ylmethylsulfanyl)-6-phenylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-(1H-imidazol-2-ylmethylsulfanyl)-6-phenylpyrimidine-5-carbonitrile is N#Cc1c(SCc2ncc[nH]2)nc(N)nc1-c1ccccc1.
What is the InChIKey of 2-amino-4-(1H-imidazol-2-ylmethylsulfanyl)-6-phenylpyrimidine-5-carbonitrile?
The InChIKey is VNVKLVVDRZDUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6S/c16-8-11-13(10-4-2-1-3-5-10)20-15(17)21-14(11)22-9-12-18-6-7-19-12/h1-7H,9H2,(H,18,19)(H2,17,20,21).
What are the key properties of 2-amino-4-(1H-imidazol-2-ylmethylsulfanyl)-6-phenylpyrimidine-5-carbonitrile?
2-amino-4-(1H-imidazol-2-ylmethylsulfanyl)-6-phenylpyrimidine-5-carbonitrile has a molecular weight of 308.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1H-imidazol-2-ylmethylsulfanyl)-6-phenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 166631187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).