6-(3-ethylpiperidin-1-yl)-N,2-dimethylpyrimidin-4-amine

C13H22N4 — CID 80793429

IUPAC6-(3-ethylpiperidin-1-yl)-N,2-dimethylpyrimidin-4-amine
SMILESCCC1CCCN(c2cc(NC)nc(C)n2)C1
InChIInChI=1S/C13H22N4/c1-4-11-6-5-7-17(9-11)13-8-12(14-3)15-10(2)16-13/h8,11H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyQUMMRTCYYCGZQV-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.45
Rot. Bonds3

About 6-(3-ethylpiperidin-1-yl)-N,2-dimethylpyrimidin-4-amine

6-(3-ethylpiperidin-1-yl)-N,2-dimethylpyrimidin-4-amine (PubChem CID 80793429) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 6-(3-ethylpiperidin-1-yl)-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-ethylpiperidin-1-yl)-N,2-dimethylpyrimidin-4-amine
PubChem CID80793429
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name6-(3-ethylpiperidin-1-yl)-N,2-dimethylpyrimidin-4-amine
SMILESCCC1CCCN(c2cc(NC)nc(C)n2)C1
InChIInChI=1S/C13H22N4/c1-4-11-6-5-7-17(9-11)13-8-12(14-3)15-10(2)16-13/h8,11H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyQUMMRTCYYCGZQV-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-amine
CID 129372098
[1-[2-ethyl-6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 80933961
2-cyclopropyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
CID 80959321
4-chloro-6-(3-ethylpyrrolidin-1-yl)-2-methylpyrimidine
CID 115689812
[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-3-yl]methanol
CID 80792404
6-(3-methoxypyrrolidin-1-yl)-N,2-dimethylpyrimidin-4-amine
CID 103541803
2-ethyl-N-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80933251
4-[3-(2-chloroethyl)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 55185138
1-(2,6-dimethylpyrimidin-4-yl)-N-methylpiperidin-3-amine
CID 62547071
4-N-(3-ethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80840628
6-(3-methoxypiperidin-1-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 102971485
6-(3-ethylpiperidin-1-yl)-N-propylpyrazin-2-amine
CID 80793558

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethylpiperidin-1-yl)-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(3-ethylpiperidin-1-yl)-N,2-dimethylpyrimidin-4-amine (CID 80793429) is 6-(3-ethylpiperidin-1-yl)-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-ethylpiperidin-1-yl)-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(3-ethylpiperidin-1-yl)-N,2-dimethylpyrimidin-4-amine is CCC1CCCN(c2cc(NC)nc(C)n2)C1.
What is the InChIKey of 6-(3-ethylpiperidin-1-yl)-N,2-dimethylpyrimidin-4-amine?
The InChIKey is QUMMRTCYYCGZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-11-6-5-7-17(9-11)13-8-12(14-3)15-10(2)16-13/h8,11H,4-7,9H2,1-3H3,(H,14,15,16).
What are the key properties of 6-(3-ethylpiperidin-1-yl)-N,2-dimethylpyrimidin-4-amine?
6-(3-ethylpiperidin-1-yl)-N,2-dimethylpyrimidin-4-amine has a molecular weight of 234.35 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethylpiperidin-1-yl)-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80793429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).