4-(2-aminopyrimidin-5-yl)-5-(4-fluorophenyl)pyrimidin-2-amine

C14H11FN6 — CID 67983119

IUPAC4-(2-aminopyrimidin-5-yl)-5-(4-fluorophenyl)pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N)ncc2-c2ccc(F)cc2)cn1
InChIInChI=1S/C14H11FN6/c15-10-3-1-8(2-4-10)11-7-20-14(17)21-12(11)9-5-18-13(16)19-6-9/h1-7H,(H2,16,18,19)(H2,17,20,21)
InChIKeyRELURKAQPWVGGS-UHFFFAOYSA-N
MW282.28 g/mol
LogP1.90
Rot. Bonds2

About 4-(2-aminopyrimidin-5-yl)-5-(4-fluorophenyl)pyrimidin-2-amine

4-(2-aminopyrimidin-5-yl)-5-(4-fluorophenyl)pyrimidin-2-amine (PubChem CID 67983119) has the molecular formula C14H11FN6 and a molecular weight of 282.28 g/mol. Its IUPAC name is 4-(2-aminopyrimidin-5-yl)-5-(4-fluorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-aminopyrimidin-5-yl)-5-(4-fluorophenyl)pyrimidin-2-amine
PubChem CID67983119
Molecular FormulaC14H11FN6
Molecular Weight282.28 g/mol
Exact Mass282.10
IUPAC Name4-(2-aminopyrimidin-5-yl)-5-(4-fluorophenyl)pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N)ncc2-c2ccc(F)cc2)cn1
InChIInChI=1S/C14H11FN6/c15-10-3-1-8(2-4-10)11-7-20-14(17)21-12(11)9-5-18-13(16)19-6-9/h1-7H,(H2,16,18,19)(H2,17,20,21)
InChIKeyRELURKAQPWVGGS-UHFFFAOYSA-N
XLogP1.90
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopyrimidin-5-yl)-5-(4-fluorophenyl)pyrimidin-2-amine?
The IUPAC name of 4-(2-aminopyrimidin-5-yl)-5-(4-fluorophenyl)pyrimidin-2-amine (CID 67983119) is 4-(2-aminopyrimidin-5-yl)-5-(4-fluorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-aminopyrimidin-5-yl)-5-(4-fluorophenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-aminopyrimidin-5-yl)-5-(4-fluorophenyl)pyrimidin-2-amine is Nc1ncc(-c2nc(N)ncc2-c2ccc(F)cc2)cn1.
What is the InChIKey of 4-(2-aminopyrimidin-5-yl)-5-(4-fluorophenyl)pyrimidin-2-amine?
The InChIKey is RELURKAQPWVGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN6/c15-10-3-1-8(2-4-10)11-7-20-14(17)21-12(11)9-5-18-13(16)19-6-9/h1-7H,(H2,16,18,19)(H2,17,20,21).
What are the key properties of 4-(2-aminopyrimidin-5-yl)-5-(4-fluorophenyl)pyrimidin-2-amine?
4-(2-aminopyrimidin-5-yl)-5-(4-fluorophenyl)pyrimidin-2-amine has a molecular weight of 282.28 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopyrimidin-5-yl)-5-(4-fluorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 67983119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).