6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidin-4-amine

C12H21N5 — CID 80834116

IUPAC6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidin-4-amine
SMILESCCC1CN(c2ncnc(N)c2C)CCN1C
InChIInChI=1S/C12H21N5/c1-4-10-7-17(6-5-16(10)3)12-9(2)11(13)14-8-15-12/h8,10H,4-7H2,1-3H3,(H2,13,14,15)
InChIKeyCNVWKAPUDFXROS-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.90
Rot. Bonds2

About 6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidin-4-amine

6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidin-4-amine (PubChem CID 80834116) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidin-4-amine
PubChem CID80834116
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidin-4-amine
SMILESCCC1CN(c2ncnc(N)c2C)CCN1C
InChIInChI=1S/C12H21N5/c1-4-10-7-17(6-5-16(10)3)12-9(2)11(13)14-8-15-12/h8,10H,4-7H2,1-3H3,(H2,13,14,15)
InChIKeyCNVWKAPUDFXROS-UHFFFAOYSA-N
XLogP0.90
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-ethyl-4-methylpiperazin-1-yl)-2,5-dimethylpyrimidin-4-amine
CID 80834206
4-(3-ethyl-4-methylpiperazin-1-yl)quinazolin-7-amine
CID 65337182
6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyridin-3-amine
CID 63609284
5-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine
CID 80757172
2-(3-ethyl-4-methylpiperazin-1-yl)pyridin-3-amine
CID 63610642
[1-(6-amino-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112629520
4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoropyrimidin-2-amine
CID 80833954
5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80767389
N-ethyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80816600
2-[1-(6-amino-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol
CID 107229203
6-(4-cyclopropylpiperazin-1-yl)-5-methylpyrimidin-4-amine
CID 80799407
6-(4,4-diethylpiperidin-1-yl)-5-methylpyrimidin-4-amine
CID 80831059

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidin-4-amine (CID 80834116) is 6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidin-4-amine is CCC1CN(c2ncnc(N)c2C)CCN1C.
What is the InChIKey of 6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidin-4-amine?
The InChIKey is CNVWKAPUDFXROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-4-10-7-17(6-5-16(10)3)12-9(2)11(13)14-8-15-12/h8,10H,4-7H2,1-3H3,(H2,13,14,15).
What are the key properties of 6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidin-4-amine?
6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80834116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).