2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-6-phenylpyrimidin-4-amine

C20H28N4 — CID 112933707

IUPAC2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-6-phenylpyrimidin-4-amine
SMILESCC(C)CNc1cc(-c2ccccc2)nc(N2CCC(C)CC2)n1
InChIInChI=1S/C20H28N4/c1-15(2)14-21-19-13-18(17-7-5-4-6-8-17)22-20(23-19)24-11-9-16(3)10-12-24/h4-8,13,15-16H,9-12,14H2,1-3H3,(H,21,22,23)
InChIKeyJGNFHYNXGWPKDT-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.45
Rot. Bonds5

About 2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-6-phenylpyrimidin-4-amine

2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-6-phenylpyrimidin-4-amine (PubChem CID 112933707) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-6-phenylpyrimidin-4-amine
PubChem CID112933707
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-6-phenylpyrimidin-4-amine
SMILESCC(C)CNc1cc(-c2ccccc2)nc(N2CCC(C)CC2)n1
InChIInChI=1S/C20H28N4/c1-15(2)14-21-19-13-18(17-7-5-4-6-8-17)22-20(23-19)24-11-9-16(3)10-12-24/h4-8,13,15-16H,9-12,14H2,1-3H3,(H,21,22,23)
InChIKeyJGNFHYNXGWPKDT-UHFFFAOYSA-N
XLogP4.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112933703
2-(4-methylpiperidin-1-yl)-N-pentyl-6-phenylpyrimidin-4-amine
CID 112934781
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)-6-phenylpyrimidin-4-amine
CID 112933735
N-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936368
1-[2-(4-methylpiperidin-1-yl)-6-phenylpyrimidin-4-yl]azepane
CID 112934784
N-butyl-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine
CID 112933585
(4-methylpiperidin-1-yl)-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]methanone
CID 112852344
6-phenyl-2-(4-phenylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 112932417
N-benzyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936341
6-methyl-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-4-amine
CID 112910888
N-pentyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934269
6-phenyl-N-propyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112932430

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-6-phenylpyrimidin-4-amine?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-6-phenylpyrimidin-4-amine (CID 112933707) is 2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-6-phenylpyrimidin-4-amine?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-6-phenylpyrimidin-4-amine is CC(C)CNc1cc(-c2ccccc2)nc(N2CCC(C)CC2)n1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-6-phenylpyrimidin-4-amine?
The InChIKey is JGNFHYNXGWPKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-15(2)14-21-19-13-18(17-7-5-4-6-8-17)22-20(23-19)24-11-9-16(3)10-12-24/h4-8,13,15-16H,9-12,14H2,1-3H3,(H,21,22,23).
What are the key properties of 2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-6-phenylpyrimidin-4-amine?
2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-6-phenylpyrimidin-4-amine has a molecular weight of 324.47 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 112933707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).