4-(furan-2-yl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile

C16H12N4O — CID 166631976

IUPAC4-(furan-2-yl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile
SMILESCNc1nc(-c2ccccc2)c(C#N)c(-c2ccco2)n1
InChIInChI=1S/C16H12N4O/c1-18-16-19-14(11-6-3-2-4-7-11)12(10-17)15(20-16)13-8-5-9-21-13/h2-9H,1H3,(H,18,19,20)
InChIKeySKAWIEBCFSXXDA-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.32
Rot. Bonds3

About 4-(furan-2-yl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile

4-(furan-2-yl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile (PubChem CID 166631976) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(furan-2-yl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile
PubChem CID166631976
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name4-(furan-2-yl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile
SMILESCNc1nc(-c2ccccc2)c(C#N)c(-c2ccco2)n1
InChIInChI=1S/C16H12N4O/c1-18-16-19-14(11-6-3-2-4-7-11)12(10-17)15(20-16)13-8-5-9-21-13/h2-9H,1H3,(H,18,19,20)
InChIKeySKAWIEBCFSXXDA-UHFFFAOYSA-N
XLogP3.32
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile?
The IUPAC name of 4-(furan-2-yl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile (CID 166631976) is 4-(furan-2-yl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(furan-2-yl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-(furan-2-yl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile is CNc1nc(-c2ccccc2)c(C#N)c(-c2ccco2)n1.
What is the InChIKey of 4-(furan-2-yl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile?
The InChIKey is SKAWIEBCFSXXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-18-16-19-14(11-6-3-2-4-7-11)12(10-17)15(20-16)13-8-5-9-21-13/h2-9H,1H3,(H,18,19,20).
What are the key properties of 4-(furan-2-yl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile?
4-(furan-2-yl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile has a molecular weight of 276.30 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 166631976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).