2-amino-4-(4-fluorophenyl)-6-(furan-2-yl)pyrimidine-5-carbonitrile

C15H9FN4O — CID 166628117

IUPAC2-amino-4-(4-fluorophenyl)-6-(furan-2-yl)pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2)nc(N)nc1-c1ccco1
InChIInChI=1S/C15H9FN4O/c16-10-5-3-9(4-6-10)13-11(8-17)14(20-15(18)19-13)12-2-1-7-21-12/h1-7H,(H2,18,19,20)
InChIKeyFZQFAKGQUMBHKS-UHFFFAOYSA-N
MW280.26 g/mol
LogP3.00
Rot. Bonds2

About 2-amino-4-(4-fluorophenyl)-6-(furan-2-yl)pyrimidine-5-carbonitrile

2-amino-4-(4-fluorophenyl)-6-(furan-2-yl)pyrimidine-5-carbonitrile (PubChem CID 166628117) has the molecular formula C15H9FN4O and a molecular weight of 280.26 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)-6-(furan-2-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)-6-(furan-2-yl)pyrimidine-5-carbonitrile
PubChem CID166628117
Molecular FormulaC15H9FN4O
Molecular Weight280.26 g/mol
Exact Mass280.08
IUPAC Name2-amino-4-(4-fluorophenyl)-6-(furan-2-yl)pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2)nc(N)nc1-c1ccco1
InChIInChI=1S/C15H9FN4O/c16-10-5-3-9(4-6-10)13-11(8-17)14(20-15(18)19-13)12-2-1-7-21-12/h1-7H,(H2,18,19,20)
InChIKeyFZQFAKGQUMBHKS-UHFFFAOYSA-N
XLogP3.00
TPSA88.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-fluorophenyl)-6-(furan-2-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-(4-fluorophenyl)-6-(furan-2-yl)pyrimidine-5-carbonitrile (CID 166628117) is 2-amino-4-(4-fluorophenyl)-6-(furan-2-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)-6-(furan-2-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)-6-(furan-2-yl)pyrimidine-5-carbonitrile is N#Cc1c(-c2ccc(F)cc2)nc(N)nc1-c1ccco1.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)-6-(furan-2-yl)pyrimidine-5-carbonitrile?
The InChIKey is FZQFAKGQUMBHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4O/c16-10-5-3-9(4-6-10)13-11(8-17)14(20-15(18)19-13)12-2-1-7-21-12/h1-7H,(H2,18,19,20).
What are the key properties of 2-amino-4-(4-fluorophenyl)-6-(furan-2-yl)pyrimidine-5-carbonitrile?
2-amino-4-(4-fluorophenyl)-6-(furan-2-yl)pyrimidine-5-carbonitrile has a molecular weight of 280.26 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-fluorophenyl)-6-(furan-2-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 166628117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).