4-cyclopropyl-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine

C14H14FN3 — CID 19874092

IUPAC4-cyclopropyl-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine
SMILESCc1cc(C2CC2)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C14H14FN3/c1-9-8-13(10-2-3-10)18-14(16-9)17-12-6-4-11(15)5-7-12/h4-8,10H,2-3H2,1H3,(H,16,17,18)
InChIKeyUMWLXPVFQQIYKM-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.55
Rot. Bonds3

About 4-cyclopropyl-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine

4-cyclopropyl-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine (PubChem CID 19874092) has the molecular formula C14H14FN3 and a molecular weight of 243.28 g/mol. Its IUPAC name is 4-cyclopropyl-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine
PubChem CID19874092
Molecular FormulaC14H14FN3
Molecular Weight243.28 g/mol
Exact Mass243.12
IUPAC Name4-cyclopropyl-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine
SMILESCc1cc(C2CC2)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C14H14FN3/c1-9-8-13(10-2-3-10)18-14(16-9)17-12-6-4-11(15)5-7-12/h4-8,10H,2-3H2,1H3,(H,16,17,18)
InChIKeyUMWLXPVFQQIYKM-UHFFFAOYSA-N
XLogP3.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-cyclopropyl-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine (CID 19874092) is 4-cyclopropyl-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-cyclopropyl-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-cyclopropyl-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine is Cc1cc(C2CC2)nc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 4-cyclopropyl-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine?
The InChIKey is UMWLXPVFQQIYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3/c1-9-8-13(10-2-3-10)18-14(16-9)17-12-6-4-11(15)5-7-12/h4-8,10H,2-3H2,1H3,(H,16,17,18).
What are the key properties of 4-cyclopropyl-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine?
4-cyclopropyl-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine has a molecular weight of 243.28 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 19874092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).