N-benzyl-N,2-dimethyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine

C19H26N4 — CID 112869160

IUPACN-benzyl-N,2-dimethyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1nc(N(C)Cc2ccccc2)cc(N2CCC(C)CC2)n1
InChIInChI=1S/C19H26N4/c1-15-9-11-23(12-10-15)19-13-18(20-16(2)21-19)22(3)14-17-7-5-4-6-8-17/h4-8,13,15H,9-12,14H2,1-3H3
InChIKeyOSKBIUVQXIIHOB-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.66
Rot. Bonds4

About N-benzyl-N,2-dimethyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine

N-benzyl-N,2-dimethyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112869160) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-benzyl-N,2-dimethyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-N,2-dimethyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112869160
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC NameN-benzyl-N,2-dimethyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1nc(N(C)Cc2ccccc2)cc(N2CCC(C)CC2)n1
InChIInChI=1S/C19H26N4/c1-15-9-11-23(12-10-15)19-13-18(20-16(2)21-19)22(3)14-17-7-5-4-6-8-17/h4-8,13,15H,9-12,14H2,1-3H3
InChIKeyOSKBIUVQXIIHOB-UHFFFAOYSA-N
XLogP3.66
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N,2-dimethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112872203
[6-[benzyl(methyl)amino]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364267
6-(4-benzylpiperidin-1-yl)-N-butyl-N,2-dimethylpyrimidin-4-amine
CID 112876342
N-benzyl-6-(2,3-dihydroindol-1-yl)-N,2-dimethylpyrimidin-4-amine
CID 112872223
N-benzyl-N-ethyl-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364114
N-ethyl-2-methyl-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112869319
N-benzyl-N,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112916943
6-[benzyl(methyl)amino]-2-methylpyrimidine-4-carboxylic acid
CID 82299929
N-benzyl-N,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909437
N-benzyl-4-(4-ethylpiperazin-1-yl)-N,6-dimethylpyrimidin-2-amine
CID 112914136
N-benzyl-N-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942585
4-benzyl-1-(6-ethyl-2-methylpyrimidin-4-yl)-5-methyl-1,4-diazepane
CID 133461463

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,2-dimethyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-benzyl-N,2-dimethyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine (CID 112869160) is N-benzyl-N,2-dimethyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-N,2-dimethyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-benzyl-N,2-dimethyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine is Cc1nc(N(C)Cc2ccccc2)cc(N2CCC(C)CC2)n1.
What is the InChIKey of N-benzyl-N,2-dimethyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is OSKBIUVQXIIHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-15-9-11-23(12-10-15)19-13-18(20-16(2)21-19)22(3)14-17-7-5-4-6-8-17/h4-8,13,15H,9-12,14H2,1-3H3.
What are the key properties of N-benzyl-N,2-dimethyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
N-benzyl-N,2-dimethyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 310.44 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,2-dimethyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112869160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).