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

C14H11FN6 — CID 67983118

IUPAC5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)pyrimidin-2-amine
SMILESNc1nccc(-c2cnc(N)nc2-c2ccc(F)cc2)n1
InChIInChI=1S/C14H11FN6/c15-9-3-1-8(2-4-9)12-10(7-19-14(17)21-12)11-5-6-18-13(16)20-11/h1-7H,(H2,16,18,20)(H2,17,19,21)
InChIKeyIPKBCABBAJMMOS-UHFFFAOYSA-N
MW282.28 g/mol
LogP1.90
Rot. Bonds2

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

5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)pyrimidin-2-amine (PubChem CID 67983118) has the molecular formula C14H11FN6 and a molecular weight of 282.28 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)pyrimidin-2-amine
PubChem CID67983118
Molecular FormulaC14H11FN6
Molecular Weight282.28 g/mol
Exact Mass282.10
IUPAC Name5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)pyrimidin-2-amine
SMILESNc1nccc(-c2cnc(N)nc2-c2ccc(F)cc2)n1
InChIInChI=1S/C14H11FN6/c15-9-3-1-8(2-4-9)12-10(7-19-14(17)21-12)11-5-6-18-13(16)20-11/h1-7H,(H2,16,18,20)(H2,17,19,21)
InChIKeyIPKBCABBAJMMOS-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 5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)pyrimidin-2-amine?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)pyrimidin-2-amine (CID 67983118) is 5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)pyrimidin-2-amine?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)pyrimidin-2-amine is Nc1nccc(-c2cnc(N)nc2-c2ccc(F)cc2)n1.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)pyrimidin-2-amine?
The InChIKey is IPKBCABBAJMMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN6/c15-9-3-1-8(2-4-9)12-10(7-19-14(17)21-12)11-5-6-18-13(16)20-11/h1-7H,(H2,16,18,20)(H2,17,19,21).
What are the key properties of 5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)pyrimidin-2-amine?
5-(2-aminopyrimidin-4-yl)-4-(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 5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 67983118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).