6-(3,5-dimethylpiperidin-1-yl)-2-phenylpyrimidin-4-amine

C17H22N4 — CID 115915195

IUPAC6-(3,5-dimethylpiperidin-1-yl)-2-phenylpyrimidin-4-amine
SMILESCC1CC(C)CN(c2cc(N)nc(-c3ccccc3)n2)C1
InChIInChI=1S/C17H22N4/c1-12-8-13(2)11-21(10-12)16-9-15(18)19-17(20-16)14-6-4-3-5-7-14/h3-7,9,12-13H,8,10-11H2,1-2H3,(H2,18,19,20)
InChIKeyMHBRSTNPRBWYTM-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.21
Rot. Bonds2

About 6-(3,5-dimethylpiperidin-1-yl)-2-phenylpyrimidin-4-amine

6-(3,5-dimethylpiperidin-1-yl)-2-phenylpyrimidin-4-amine (PubChem CID 115915195) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 6-(3,5-dimethylpiperidin-1-yl)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpiperidin-1-yl)-2-phenylpyrimidin-4-amine
PubChem CID115915195
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name6-(3,5-dimethylpiperidin-1-yl)-2-phenylpyrimidin-4-amine
SMILESCC1CC(C)CN(c2cc(N)nc(-c3ccccc3)n2)C1
InChIInChI=1S/C17H22N4/c1-12-8-13(2)11-21(10-12)16-9-15(18)19-17(20-16)14-6-4-3-5-7-14/h3-7,9,12-13H,8,10-11H2,1-2H3,(H2,18,19,20)
InChIKeyMHBRSTNPRBWYTM-UHFFFAOYSA-N
XLogP3.21
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpiperidin-1-yl)-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-(3,5-dimethylpiperidin-1-yl)-2-phenylpyrimidin-4-amine (CID 115915195) is 6-(3,5-dimethylpiperidin-1-yl)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dimethylpiperidin-1-yl)-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dimethylpiperidin-1-yl)-2-phenylpyrimidin-4-amine is CC1CC(C)CN(c2cc(N)nc(-c3ccccc3)n2)C1.
What is the InChIKey of 6-(3,5-dimethylpiperidin-1-yl)-2-phenylpyrimidin-4-amine?
The InChIKey is MHBRSTNPRBWYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-12-8-13(2)11-21(10-12)16-9-15(18)19-17(20-16)14-6-4-3-5-7-14/h3-7,9,12-13H,8,10-11H2,1-2H3,(H2,18,19,20).
What are the key properties of 6-(3,5-dimethylpiperidin-1-yl)-2-phenylpyrimidin-4-amine?
6-(3,5-dimethylpiperidin-1-yl)-2-phenylpyrimidin-4-amine has a molecular weight of 282.39 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpiperidin-1-yl)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 115915195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).