6-(4-fluorophenyl)-5-methyl-2-propylpyrimidin-4-amine

C14H16FN3 — CID 80975052

IUPAC6-(4-fluorophenyl)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H16FN3/c1-3-4-12-17-13(9(2)14(16)18-12)10-5-7-11(15)8-6-10/h5-8H,3-4H2,1-2H3,(H2,16,17,18)
InChIKeyKFWUBHMVHHHWIK-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.13
Rot. Bonds3

About 6-(4-fluorophenyl)-5-methyl-2-propylpyrimidin-4-amine

6-(4-fluorophenyl)-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80975052) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80975052
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name6-(4-fluorophenyl)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H16FN3/c1-3-4-12-17-13(9(2)14(16)18-12)10-5-7-11(15)8-6-10/h5-8H,3-4H2,1-2H3,(H2,16,17,18)
InChIKeyKFWUBHMVHHHWIK-UHFFFAOYSA-N
XLogP3.13
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-fluorophenyl)-5-methyl-2-propylpyrimidin-4-amine (CID 80975052) is 6-(4-fluorophenyl)-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-fluorophenyl)-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(N)c(C)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 6-(4-fluorophenyl)-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is KFWUBHMVHHHWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-3-4-12-17-13(9(2)14(16)18-12)10-5-7-11(15)8-6-10/h5-8H,3-4H2,1-2H3,(H2,16,17,18).
What are the key properties of 6-(4-fluorophenyl)-5-methyl-2-propylpyrimidin-4-amine?
6-(4-fluorophenyl)-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 245.30 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80975052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).