5-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)-6-propylpyrimidin-2-amine

C19H25FN4 — CID 121292709

IUPAC5-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)-6-propylpyrimidin-2-amine
SMILESCCCc1nc(N)nc(N2CCCC(C)C2)c1-c1ccc(F)cc1
InChIInChI=1S/C19H25FN4/c1-3-5-16-17(14-7-9-15(20)10-8-14)18(23-19(21)22-16)24-11-4-6-13(2)12-24/h7-10,13H,3-6,11-12H2,1-2H3,(H2,21,22,23)
InChIKeyCHCURRAXININBJ-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.05
Rot. Bonds4

About 5-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)-6-propylpyrimidin-2-amine

5-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)-6-propylpyrimidin-2-amine (PubChem CID 121292709) has the molecular formula C19H25FN4 and a molecular weight of 328.44 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)-6-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)-6-propylpyrimidin-2-amine
PubChem CID121292709
Molecular FormulaC19H25FN4
Molecular Weight328.44 g/mol
Exact Mass328.21
IUPAC Name5-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)-6-propylpyrimidin-2-amine
SMILESCCCc1nc(N)nc(N2CCCC(C)C2)c1-c1ccc(F)cc1
InChIInChI=1S/C19H25FN4/c1-3-5-16-17(14-7-9-15(20)10-8-14)18(23-19(21)22-16)24-11-4-6-13(2)12-24/h7-10,13H,3-6,11-12H2,1-2H3,(H2,21,22,23)
InChIKeyCHCURRAXININBJ-UHFFFAOYSA-N
XLogP4.05
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)-6-propylpyrimidin-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)-6-propylpyrimidin-2-amine (CID 121292709) is 5-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)-6-propylpyrimidin-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)-6-propylpyrimidin-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)-6-propylpyrimidin-2-amine is CCCc1nc(N)nc(N2CCCC(C)C2)c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)-6-propylpyrimidin-2-amine?
The InChIKey is CHCURRAXININBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4/c1-3-5-16-17(14-7-9-15(20)10-8-14)18(23-19(21)22-16)24-11-4-6-13(2)12-24/h7-10,13H,3-6,11-12H2,1-2H3,(H2,21,22,23).
What are the key properties of 5-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)-6-propylpyrimidin-2-amine?
5-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)-6-propylpyrimidin-2-amine has a molecular weight of 328.44 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)-6-propylpyrimidin-2-amine is sourced from PubChem (CID 121292709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).