2-phenyl-N-piperidin-3-yl-6-propylpyrimidin-4-amine

C18H24N4 — CID 56768428

IUPAC2-phenyl-N-piperidin-3-yl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC2CCCNC2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H24N4/c1-2-7-15-12-17(20-16-10-6-11-19-13-16)22-18(21-15)14-8-4-3-5-9-14/h3-5,8-9,12,16,19H,2,6-7,10-11,13H2,1H3,(H,20,21,22)
InChIKeyIYJYQYIRKONVJD-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.26
Rot. Bonds5

About 2-phenyl-N-piperidin-3-yl-6-propylpyrimidin-4-amine

2-phenyl-N-piperidin-3-yl-6-propylpyrimidin-4-amine (PubChem CID 56768428) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-phenyl-N-piperidin-3-yl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-phenyl-N-piperidin-3-yl-6-propylpyrimidin-4-amine
PubChem CID56768428
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name2-phenyl-N-piperidin-3-yl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC2CCCNC2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H24N4/c1-2-7-15-12-17(20-16-10-6-11-19-13-16)22-18(21-15)14-8-4-3-5-9-14/h3-5,8-9,12,16,19H,2,6-7,10-11,13H2,1H3,(H,20,21,22)
InChIKeyIYJYQYIRKONVJD-UHFFFAOYSA-N
XLogP3.26
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-piperidin-3-yl-6-propylpyrimidin-4-amine?
The IUPAC name of 2-phenyl-N-piperidin-3-yl-6-propylpyrimidin-4-amine (CID 56768428) is 2-phenyl-N-piperidin-3-yl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-phenyl-N-piperidin-3-yl-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-phenyl-N-piperidin-3-yl-6-propylpyrimidin-4-amine is CCCc1cc(NC2CCCNC2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-piperidin-3-yl-6-propylpyrimidin-4-amine?
The InChIKey is IYJYQYIRKONVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-2-7-15-12-17(20-16-10-6-11-19-13-16)22-18(21-15)14-8-4-3-5-9-14/h3-5,8-9,12,16,19H,2,6-7,10-11,13H2,1H3,(H,20,21,22).
What are the key properties of 2-phenyl-N-piperidin-3-yl-6-propylpyrimidin-4-amine?
2-phenyl-N-piperidin-3-yl-6-propylpyrimidin-4-amine has a molecular weight of 296.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-piperidin-3-yl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 56768428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).