4-(4-methoxypiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine

C18H24N4O — CID 162648793

IUPAC4-(4-methoxypiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
SMILESCOC1CCN(c2ccnc(NCCc3ccccc3)n2)CC1
InChIInChI=1S/C18H24N4O/c1-23-16-9-13-22(14-10-16)17-8-12-20-18(21-17)19-11-7-15-5-3-2-4-6-15/h2-6,8,12,16H,7,9-11,13-14H2,1H3,(H,19,20,21)
InChIKeyYXSAXVBPJVBRDV-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.75
Rot. Bonds6

About 4-(4-methoxypiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine

4-(4-methoxypiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine (PubChem CID 162648793) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-(4-methoxypiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methoxypiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
PubChem CID162648793
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name4-(4-methoxypiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
SMILESCOC1CCN(c2ccnc(NCCc3ccccc3)n2)CC1
InChIInChI=1S/C18H24N4O/c1-23-16-9-13-22(14-10-16)17-8-12-20-18(21-17)19-11-7-15-5-3-2-4-6-15/h2-6,8,12,16H,7,9-11,13-14H2,1H3,(H,19,20,21)
InChIKeyYXSAXVBPJVBRDV-UHFFFAOYSA-N
XLogP2.75
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Msx-122
CID 11687907
3-[[2-(Butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 72793042
N*2*-Phenethyl-N*4*-((S)-1-phenyl-ethyl)-pyrimidine-2,4-diamine
CID 44393180
US9205085, Msx-197
CID 49857485
US9205085, Msx-222
CID 49857486
US9205085, Msx-193
CID 49857681
2-(4-Benzylpiperazin-1-yl)pyrimidine
CID 3716622
Pyrimidine, 2-((1-benzyl-4-piperidyl)amino)-
CID 3059129
N-benzyl-2-thiomorpholinopyrimidin-4-amine
CID 46871648
N-benzyl-2-morpholinopyrimidin-4-amine
CID 46891015
4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
CID 112885084
1-(2-Amino-4-pyrimidinyl)-3-(3-phenylpropyl)-3-piperidinemethanol
CID 56750508

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxypiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-methoxypiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine (CID 162648793) is 4-(4-methoxypiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methoxypiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-methoxypiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine is COC1CCN(c2ccnc(NCCc3ccccc3)n2)CC1.
What is the InChIKey of 4-(4-methoxypiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine?
The InChIKey is YXSAXVBPJVBRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-23-16-9-13-22(14-10-16)17-8-12-20-18(21-17)19-11-7-15-5-3-2-4-6-15/h2-6,8,12,16H,7,9-11,13-14H2,1H3,(H,19,20,21).
What are the key properties of 4-(4-methoxypiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine?
4-(4-methoxypiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine has a molecular weight of 312.42 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxypiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine is sourced from PubChem (CID 162648793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).