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

C19H26N4 — CID 112916943

IUPACN-benzyl-N,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1cc(N(C)Cc2ccccc2)nc(N2CCCC(C)C2)n1
InChIInChI=1S/C19H26N4/c1-15-8-7-11-23(13-15)19-20-16(2)12-18(21-19)22(3)14-17-9-5-4-6-10-17/h4-6,9-10,12,15H,7-8,11,13-14H2,1-3H3
InChIKeyGGQZCHBOGQKVAI-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.66
Rot. Bonds4

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

N-benzyl-N,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112916943) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-benzyl-N,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-N,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112916943
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC NameN-benzyl-N,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1cc(N(C)Cc2ccccc2)nc(N2CCCC(C)C2)n1
InChIInChI=1S/C19H26N4/c1-15-8-7-11-23(13-15)19-20-16(2)12-18(21-19)22(3)14-17-9-5-4-6-10-17/h4-6,9-10,12,15H,7-8,11,13-14H2,1-3H3
InChIKeyGGQZCHBOGQKVAI-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,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909437
[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109328238
2-(azepan-1-yl)-N-benzyl-N-ethyl-6-methylpyrimidin-4-amine
CID 112918906
N-benzyl-N,4,6-trimethylpyrimidin-2-amine
CID 734467
N-benzyl-N,2-dimethyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112869160
N',N'-dimethyl-N-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine
CID 112912830
N-(2-ethylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926176
6-methyl-2-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112919450
4-methyl-2-(3-methylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidine
CID 112910746
4-methyl-6-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112909491
N-benzyl-2-chloro-N,6-dimethylpyrimidin-4-amine
CID 62477780
N-methyl-3-(3-methylpiperidin-1-yl)-N-phenyl-1,2,4-triazin-5-amine
CID 112960710

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-benzyl-N,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine (CID 112916943) is N-benzyl-N,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-N,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-benzyl-N,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine is Cc1cc(N(C)Cc2ccccc2)nc(N2CCCC(C)C2)n1.
What is the InChIKey of N-benzyl-N,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is GGQZCHBOGQKVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-15-8-7-11-23(13-15)19-20-16(2)12-18(21-19)22(3)14-17-9-5-4-6-10-17/h4-6,9-10,12,15H,7-8,11,13-14H2,1-3H3.
What are the key properties of N-benzyl-N,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
N-benzyl-N,6-dimethyl-2-(3-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,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112916943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).