N-benzyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine

C17H22N4 — CID 46891058

IUPACN-benzyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCC1CCN(c2nccc(NCc3ccccc3)n2)CC1
InChIInChI=1S/C17H22N4/c1-14-8-11-21(12-9-14)17-18-10-7-16(20-17)19-13-15-5-3-2-4-6-15/h2-7,10,14H,8-9,11-13H2,1H3,(H,18,19,20)
InChIKeyVAPRIZYIVOPQLU-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.33
Rot. Bonds4

About N-benzyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine

N-benzyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 46891058) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-benzyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID46891058
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-benzyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCC1CCN(c2nccc(NCc3ccccc3)n2)CC1
InChIInChI=1S/C17H22N4/c1-14-8-11-21(12-9-14)17-18-10-7-16(20-17)19-13-15-5-3-2-4-6-15/h2-7,10,14H,8-9,11-13H2,1H3,(H,18,19,20)
InChIKeyVAPRIZYIVOPQLU-UHFFFAOYSA-N
XLogP3.33
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-benzyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine (CID 46891058) is N-benzyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine is CC1CCN(c2nccc(NCc3ccccc3)n2)CC1.
What is the InChIKey of N-benzyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is VAPRIZYIVOPQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-14-8-11-21(12-9-14)17-18-10-7-16(20-17)19-13-15-5-3-2-4-6-15/h2-7,10,14H,8-9,11-13H2,1H3,(H,18,19,20).
What are the key properties of N-benzyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
N-benzyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 282.39 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 46891058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).