4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]pyrimidin-2-amine

C13H22N4 — CID 112751268

IUPAC4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]pyrimidin-2-amine
SMILESCCC1(C)CCN(Cc2ccnc(N)n2)CC1
InChIInChI=1S/C13H22N4/c1-3-13(2)5-8-17(9-6-13)10-11-4-7-15-12(14)16-11/h4,7H,3,5-6,8-10H2,1-2H3,(H2,14,15,16)
InChIKeyZFIYSHLIJRMMLT-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.07
Rot. Bonds3

About 4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]pyrimidin-2-amine

4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]pyrimidin-2-amine (PubChem CID 112751268) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]pyrimidin-2-amine
PubChem CID112751268
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]pyrimidin-2-amine
SMILESCCC1(C)CCN(Cc2ccnc(N)n2)CC1
InChIInChI=1S/C13H22N4/c1-3-13(2)5-8-17(9-6-13)10-11-4-7-15-12(14)16-11/h4,7H,3,5-6,8-10H2,1-2H3,(H2,14,15,16)
InChIKeyZFIYSHLIJRMMLT-UHFFFAOYSA-N
XLogP2.07
TPSA55.04 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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888263
6-[(4-ethyl-4-methylpiperidin-1-yl)methyl]pyridin-3-ol
CID 82979433
N-[[6-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106906516
[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 55157940
4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine
CID 120780589
4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]pyridine-2-carbothioamide
CID 63882107
1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylpiperidin-4-ol
CID 136522548
2-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-4-amine
CID 79251522
5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899612
4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidin-2-amine
CID 112751279
2-methoxy-4-[(4-methoxy-4-methylpiperidin-1-yl)methyl]pyrimidine
CID 163258830
[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine
CID 107113388

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]pyrimidin-2-amine (CID 112751268) is 4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]pyrimidin-2-amine is CCC1(C)CCN(Cc2ccnc(N)n2)CC1.
What is the InChIKey of 4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]pyrimidin-2-amine?
The InChIKey is ZFIYSHLIJRMMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-13(2)5-8-17(9-6-13)10-11-4-7-15-12(14)16-11/h4,7H,3,5-6,8-10H2,1-2H3,(H2,14,15,16).
What are the key properties of 4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]pyrimidin-2-amine?
4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]pyrimidin-2-amine has a molecular weight of 234.35 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 112751268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).