2-(4-methoxyphenyl)-N-piperidin-4-yl-6-propylpyrimidin-4-amine

C19H26N4O — CID 56766998

IUPAC2-(4-methoxyphenyl)-N-piperidin-4-yl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC2CCNCC2)nc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C19H26N4O/c1-3-4-16-13-18(21-15-9-11-20-12-10-15)23-19(22-16)14-5-7-17(24-2)8-6-14/h5-8,13,15,20H,3-4,9-12H2,1-2H3,(H,21,22,23)
InChIKeyGGWBIQQCVZVCDW-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.27
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-piperidin-4-yl-6-propylpyrimidin-4-amine

2-(4-methoxyphenyl)-N-piperidin-4-yl-6-propylpyrimidin-4-amine (PubChem CID 56766998) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-piperidin-4-yl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-piperidin-4-yl-6-propylpyrimidin-4-amine
PubChem CID56766998
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-(4-methoxyphenyl)-N-piperidin-4-yl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC2CCNCC2)nc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C19H26N4O/c1-3-4-16-13-18(21-15-9-11-20-12-10-15)23-19(22-16)14-5-7-17(24-2)8-6-14/h5-8,13,15,20H,3-4,9-12H2,1-2H3,(H,21,22,23)
InChIKeyGGWBIQQCVZVCDW-UHFFFAOYSA-N
XLogP3.27
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-piperidin-4-yl-6-propylpyrimidin-4-amine?
The IUPAC name of 2-(4-methoxyphenyl)-N-piperidin-4-yl-6-propylpyrimidin-4-amine (CID 56766998) is 2-(4-methoxyphenyl)-N-piperidin-4-yl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-piperidin-4-yl-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-piperidin-4-yl-6-propylpyrimidin-4-amine is CCCc1cc(NC2CCNCC2)nc(-c2ccc(OC)cc2)n1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-piperidin-4-yl-6-propylpyrimidin-4-amine?
The InChIKey is GGWBIQQCVZVCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-3-4-16-13-18(21-15-9-11-20-12-10-15)23-19(22-16)14-5-7-17(24-2)8-6-14/h5-8,13,15,20H,3-4,9-12H2,1-2H3,(H,21,22,23).
What are the key properties of 2-(4-methoxyphenyl)-N-piperidin-4-yl-6-propylpyrimidin-4-amine?
2-(4-methoxyphenyl)-N-piperidin-4-yl-6-propylpyrimidin-4-amine has a molecular weight of 326.44 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-piperidin-4-yl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 56766998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).