N-benzyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine

C18H24N4 — CID 112871546

IUPACN-benzyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1nc(NCc2ccccc2)cc(N2CCCC(C)C2)n1
InChIInChI=1S/C18H24N4/c1-14-7-6-10-22(13-14)18-11-17(20-15(2)21-18)19-12-16-8-4-3-5-9-16/h3-5,8-9,11,14H,6-7,10,12-13H2,1-2H3,(H,19,20,21)
InChIKeyPBTJGEYGKMAINU-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.63
Rot. Bonds4

About N-benzyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine

N-benzyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112871546) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-benzyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112871546
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC NameN-benzyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1nc(NCc2ccccc2)cc(N2CCCC(C)C2)n1
InChIInChI=1S/C18H24N4/c1-14-7-6-10-22(13-14)18-11-17(20-15(2)21-18)19-12-16-8-4-3-5-9-16/h3-5,8-9,11,14H,6-7,10,12-13H2,1-2H3,(H,19,20,21)
InChIKeyPBTJGEYGKMAINU-UHFFFAOYSA-N
XLogP3.63
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876534
N,2-dimethyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-amine
CID 129372098
N-(2-bromophenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876605
N',N'-dimethyl-N-[2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]propane-1,3-diamine
CID 112870576
2-methyl-6-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 112876602
N-benzyl-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112871532
4-methyl-N-[(4-methylphenyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112916523
2-methyl-N-(3-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876539
N-(2-methoxyphenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876573
6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
CID 112872484
N-[(4-chlorophenyl)methyl]-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868436
6-methyl-2-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112919450

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-benzyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine (CID 112871546) is N-benzyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine is Cc1nc(NCc2ccccc2)cc(N2CCCC(C)C2)n1.
What is the InChIKey of N-benzyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is PBTJGEYGKMAINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-14-7-6-10-22(13-14)18-11-17(20-15(2)21-18)19-12-16-8-4-3-5-9-16/h3-5,8-9,11,14H,6-7,10,12-13H2,1-2H3,(H,19,20,21).
What are the key properties of N-benzyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
N-benzyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 296.42 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112871546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).