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

C13H22N4 — CID 80933251

IUPAC2-ethyl-N-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCc1nc(NC)cc(N2CCCC(C)C2)n1
InChIInChI=1S/C13H22N4/c1-4-11-15-12(14-3)8-13(16-11)17-7-5-6-10(2)9-17/h8,10H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyKKGWTWASIZSVQG-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.32
Rot. Bonds3

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

2-ethyl-N-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 80933251) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-ethyl-N-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID80933251
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-ethyl-N-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCc1nc(NC)cc(N2CCCC(C)C2)n1
InChIInChI=1S/C13H22N4/c1-4-11-15-12(14-3)8-13(16-11)17-7-5-6-10(2)9-17/h8,10H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyKKGWTWASIZSVQG-UHFFFAOYSA-N
XLogP2.32
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-ethyl-6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 80933961
6-(3,5-dimethylpiperidin-1-yl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80933757
N,2-dimethyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-amine
CID 129372098
2-ethyl-N-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 80934171
N,2-diethyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80933054
2-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpyrimidin-4-amine
CID 80934561
6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-methyl-2-propylpyrimidin-4-amine
CID 80944630
6-(3,4-dimethoxypyrrolidin-1-yl)-2-ethyl-N-methylpyrimidin-4-amine
CID 103541964
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80942504
6-(2,4-dimethylpiperidin-1-yl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80935192
2-ethyl-N-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 80933335
N-methyl-6-(3-methylazepan-1-yl)pyrazin-2-amine
CID 170000459

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine (CID 80933251) is 2-ethyl-N-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine is CCc1nc(NC)cc(N2CCCC(C)C2)n1.
What is the InChIKey of 2-ethyl-N-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is KKGWTWASIZSVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-11-15-12(14-3)8-13(16-11)17-7-5-6-10(2)9-17/h8,10H,4-7,9H2,1-3H3,(H,14,15,16).
What are the key properties of 2-ethyl-N-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
2-ethyl-N-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 234.35 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80933251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).