N-methyl-N-phenyl-4-piperidin-1-ylpyrimidin-2-amine

C16H20N4 — CID 112884516

IUPACN-methyl-N-phenyl-4-piperidin-1-ylpyrimidin-2-amine
SMILESCN(c1ccccc1)c1nccc(N2CCCCC2)n1
InChIInChI=1S/C16H20N4/c1-19(14-8-4-2-5-9-14)16-17-11-10-15(18-16)20-12-6-3-7-13-20/h2,4-5,8-11H,3,6-7,12-13H2,1H3
InChIKeySHYHUCDGXITUAY-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.23
Rot. Bonds3

About N-methyl-N-phenyl-4-piperidin-1-ylpyrimidin-2-amine

N-methyl-N-phenyl-4-piperidin-1-ylpyrimidin-2-amine (PubChem CID 112884516) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-methyl-N-phenyl-4-piperidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-N-phenyl-4-piperidin-1-ylpyrimidin-2-amine
PubChem CID112884516
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-methyl-N-phenyl-4-piperidin-1-ylpyrimidin-2-amine
SMILESCN(c1ccccc1)c1nccc(N2CCCCC2)n1
InChIInChI=1S/C16H20N4/c1-19(14-8-4-2-5-9-14)16-17-11-10-15(18-16)20-12-6-3-7-13-20/h2,4-5,8-11H,3,6-7,12-13H2,1H3
InChIKeySHYHUCDGXITUAY-UHFFFAOYSA-N
XLogP3.23
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-phenyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883885
azepan-1-yl-[2-(N-methylanilino)pyrimidin-4-yl]methanone
CID 109313290
N-benzyl-N-ethyl-4-piperidin-1-ylpyrimidin-2-amine
CID 112884459
dimethoxymethane;N,4-dimethyl-N-phenyl-6-piperidin-1-ylpyrimidin-2-amine;ethane
CID 91566011
N-methyl-4-piperidin-1-yl-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)pyrimidin-2-amine
CID 164611016
1-(2-methylpyrimidin-4-yl)azepane
CID 126972484
2-(N-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109314243
4-(azepan-1-yl)-N-methyl-N-octylpyrimidin-2-amine
CID 66904228
[2-(N-methylanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109310584
N-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine
CID 112902154
1-(4-pyrrolidin-1-ylpyrimidin-2-yl)azepane
CID 112883879
4-N-methyl-4-N-phenyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112902075

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-4-piperidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-methyl-N-phenyl-4-piperidin-1-ylpyrimidin-2-amine (CID 112884516) is N-methyl-N-phenyl-4-piperidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-methyl-N-phenyl-4-piperidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-methyl-N-phenyl-4-piperidin-1-ylpyrimidin-2-amine is CN(c1ccccc1)c1nccc(N2CCCCC2)n1.
What is the InChIKey of N-methyl-N-phenyl-4-piperidin-1-ylpyrimidin-2-amine?
The InChIKey is SHYHUCDGXITUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-19(14-8-4-2-5-9-14)16-17-11-10-15(18-16)20-12-6-3-7-13-20/h2,4-5,8-11H,3,6-7,12-13H2,1H3.
What are the key properties of N-methyl-N-phenyl-4-piperidin-1-ylpyrimidin-2-amine?
N-methyl-N-phenyl-4-piperidin-1-ylpyrimidin-2-amine has a molecular weight of 268.36 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-4-piperidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 112884516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).