N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine

C17H22N4 — CID 950649

IUPACN-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
SMILESCc1cc(N2CCCCC2)nc(NCc2ccccc2)n1
InChIInChI=1S/C17H22N4/c1-14-12-16(21-10-6-3-7-11-21)20-17(19-14)18-13-15-8-4-2-5-9-15/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3,(H,18,19,20)
InChIKeyWYXTXIDBBBUKIV-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.39
Rot. Bonds4

About N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine

N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine (PubChem CID 950649) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
PubChem CID950649
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
SMILESCc1cc(N2CCCCC2)nc(NCc2ccccc2)n1
InChIInChI=1S/C17H22N4/c1-14-12-16(21-10-6-3-7-11-21)20-17(19-14)18-13-15-8-4-2-5-9-15/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3,(H,18,19,20)
InChIKeyWYXTXIDBBBUKIV-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine (CID 950649) is N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine is Cc1cc(N2CCCCC2)nc(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine?
The InChIKey is WYXTXIDBBBUKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-14-12-16(21-10-6-3-7-11-21)20-17(19-14)18-13-15-8-4-2-5-9-15/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3,(H,18,19,20).
What are the key properties of N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine?
N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine has a molecular weight of 282.39 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 950649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).