2-amino-4-phenyl-6-thiophen-3-ylpyrimidine-5-carbonitrile

C15H10N4S — CID 166625747

IUPAC2-amino-4-phenyl-6-thiophen-3-ylpyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(N)nc1-c1ccsc1
InChIInChI=1S/C15H10N4S/c16-8-12-13(10-4-2-1-3-5-10)18-15(17)19-14(12)11-6-7-20-9-11/h1-7,9H,(H2,17,18,19)
InChIKeyGZFMIKWKBQWFQA-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.33
Rot. Bonds2

About 2-amino-4-phenyl-6-thiophen-3-ylpyrimidine-5-carbonitrile

2-amino-4-phenyl-6-thiophen-3-ylpyrimidine-5-carbonitrile (PubChem CID 166625747) has the molecular formula C15H10N4S and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-amino-4-phenyl-6-thiophen-3-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-phenyl-6-thiophen-3-ylpyrimidine-5-carbonitrile
PubChem CID166625747
Molecular FormulaC15H10N4S
Molecular Weight278.34 g/mol
Exact Mass278.06
IUPAC Name2-amino-4-phenyl-6-thiophen-3-ylpyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(N)nc1-c1ccsc1
InChIInChI=1S/C15H10N4S/c16-8-12-13(10-4-2-1-3-5-10)18-15(17)19-14(12)11-6-7-20-9-11/h1-7,9H,(H2,17,18,19)
InChIKeyGZFMIKWKBQWFQA-UHFFFAOYSA-N
XLogP3.33
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-6-thiophen-3-ylpyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-phenyl-6-thiophen-3-ylpyrimidine-5-carbonitrile (CID 166625747) is 2-amino-4-phenyl-6-thiophen-3-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-phenyl-6-thiophen-3-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-phenyl-6-thiophen-3-ylpyrimidine-5-carbonitrile is N#Cc1c(-c2ccccc2)nc(N)nc1-c1ccsc1.
What is the InChIKey of 2-amino-4-phenyl-6-thiophen-3-ylpyrimidine-5-carbonitrile?
The InChIKey is GZFMIKWKBQWFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4S/c16-8-12-13(10-4-2-1-3-5-10)18-15(17)19-14(12)11-6-7-20-9-11/h1-7,9H,(H2,17,18,19).
What are the key properties of 2-amino-4-phenyl-6-thiophen-3-ylpyrimidine-5-carbonitrile?
2-amino-4-phenyl-6-thiophen-3-ylpyrimidine-5-carbonitrile has a molecular weight of 278.34 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-6-thiophen-3-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 166625747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).