4-(4-fluorophenyl)-6-(furan-2-yl)pyrimidin-2-amine

C14H10FN3O — CID 75358127

IUPAC4-(4-fluorophenyl)-6-(furan-2-yl)pyrimidin-2-amine
SMILESNc1nc(-c2ccc(F)cc2)cc(-c2ccco2)n1
InChIInChI=1S/C14H10FN3O/c15-10-5-3-9(4-6-10)11-8-12(18-14(16)17-11)13-2-1-7-19-13/h1-8H,(H2,16,17,18)
InChIKeyXVJJXEMMIJGJPT-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.12
Rot. Bonds2

About 4-(4-fluorophenyl)-6-(furan-2-yl)pyrimidin-2-amine

4-(4-fluorophenyl)-6-(furan-2-yl)pyrimidin-2-amine (PubChem CID 75358127) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-(furan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-(furan-2-yl)pyrimidin-2-amine
PubChem CID75358127
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name4-(4-fluorophenyl)-6-(furan-2-yl)pyrimidin-2-amine
SMILESNc1nc(-c2ccc(F)cc2)cc(-c2ccco2)n1
InChIInChI=1S/C14H10FN3O/c15-10-5-3-9(4-6-10)11-8-12(18-14(16)17-11)13-2-1-7-19-13/h1-8H,(H2,16,17,18)
InChIKeyXVJJXEMMIJGJPT-UHFFFAOYSA-N
XLogP3.12
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-6-furan-2-yl-4-phenyl-nicotinonitrile
CID 24950370
2-amino-4-(furan-2-yl)-5H-indeno[1,2-d]pyrimidin-5-one
CID 10445452
A2AAR antagonist 1
CID 105526064
4-(2-Furyl)-2-(4-pyridinyl)pyrimidine
CID 1485448
2-Amino-4-(4-fluorophenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile
CID 705445
1-(2-Furyl)ethanone (4-methyl-6-phenyl-2-pyrimidinyl)hydrazone
CID 9705263
2-Amino-4-furan-2-yl-6-phenyl-pyrimidine-5-carbonitrile
CID 9813876
5-[2-amino-4-(2-furyl)pyrimidin-5-yl]-1-methylpyridin-2(1H)-one
CID 9814006
7-(2-fluorobenzyl)-4-(2-furyl)-7H-pyrrolo[2,3-d]pyrimidine-2-amine
CID 9904688
2-amino-6-(furan-2-yl)-N-(3-methylbenzyl)pyrimidine-4-carboxamide
CID 11162618
2-amino-6-(furan-2-yl)-N-(3-methoxybenzyl)pyrimidine-4-carboxamide
CID 11381738
2-amino-6-(furan-2-yl)-N-(2-methylbenzyl)pyrimidine-4-carboxamide
CID 11392671

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-(furan-2-yl)pyrimidin-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-6-(furan-2-yl)pyrimidin-2-amine (CID 75358127) is 4-(4-fluorophenyl)-6-(furan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-6-(furan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-6-(furan-2-yl)pyrimidin-2-amine is Nc1nc(-c2ccc(F)cc2)cc(-c2ccco2)n1.
What is the InChIKey of 4-(4-fluorophenyl)-6-(furan-2-yl)pyrimidin-2-amine?
The InChIKey is XVJJXEMMIJGJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c15-10-5-3-9(4-6-10)11-8-12(18-14(16)17-11)13-2-1-7-19-13/h1-8H,(H2,16,17,18).
What are the key properties of 4-(4-fluorophenyl)-6-(furan-2-yl)pyrimidin-2-amine?
4-(4-fluorophenyl)-6-(furan-2-yl)pyrimidin-2-amine has a molecular weight of 255.25 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-(furan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 75358127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).