6-(2,5-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine

C13H22N4 — CID 80847112

IUPAC6-(2,5-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(N2CC(C)CCC2C)ncn1
InChIInChI=1S/C13H22N4/c1-4-14-12-7-13(16-9-15-12)17-8-10(2)5-6-11(17)3/h7,9-11H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyHJCWCFRHAJVGKS-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.53
Rot. Bonds3

About 6-(2,5-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine

6-(2,5-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine (PubChem CID 80847112) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 6-(2,5-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,5-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine
PubChem CID80847112
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name6-(2,5-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(N2CC(C)CCC2C)ncn1
InChIInChI=1S/C13H22N4/c1-4-14-12-7-13(16-9-15-12)17-8-10(2)5-6-11(17)3/h7,9-11H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyHJCWCFRHAJVGKS-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,5-dimethylpiperidin-1-yl)-N,2-diethylpyrimidin-4-amine
CID 80942396
2-tert-butyl-6-(2,5-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine
CID 80959965
4-(2,5-dimethylpiperidin-1-yl)-6-fluoropyrimidine
CID 115417124
N-ethyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 80756943
N-ethyl-6-(4-methylazepan-1-yl)pyrimidin-4-amine
CID 80834548
N-ethyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80798245
1-[6-(ethylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674454
6-(2,5-dimethylpiperidin-1-yl)-N,2-dipropylpyrimidin-4-amine
CID 80944214
N-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112855144
N-ethyl-6-(2-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80764965
N-ethyl-6-(4-propylazepan-1-yl)pyrimidin-4-amine
CID 80837648
N-ethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80822469

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine?
The IUPAC name of 6-(2,5-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine (CID 80847112) is 6-(2,5-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,5-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(2,5-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine is CCNc1cc(N2CC(C)CCC2C)ncn1.
What is the InChIKey of 6-(2,5-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine?
The InChIKey is HJCWCFRHAJVGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-14-12-7-13(16-9-15-12)17-8-10(2)5-6-11(17)3/h7,9-11H,4-6,8H2,1-3H3,(H,14,15,16).
What are the key properties of 6-(2,5-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine?
6-(2,5-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine has a molecular weight of 234.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 80847112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).