4-(4-ethyl-3-methylpiperazin-1-yl)-6-methylpyrimidin-2-amine

C12H21N5 — CID 80834370

IUPAC4-(4-ethyl-3-methylpiperazin-1-yl)-6-methylpyrimidin-2-amine
SMILESCCN1CCN(c2cc(C)nc(N)n2)CC1C
InChIInChI=1S/C12H21N5/c1-4-16-5-6-17(8-10(16)3)11-7-9(2)14-12(13)15-11/h7,10H,4-6,8H2,1-3H3,(H2,13,14,15)
InChIKeySYVLSFAHCYIAAG-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.90
Rot. Bonds2

About 4-(4-ethyl-3-methylpiperazin-1-yl)-6-methylpyrimidin-2-amine

4-(4-ethyl-3-methylpiperazin-1-yl)-6-methylpyrimidin-2-amine (PubChem CID 80834370) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(4-ethyl-3-methylpiperazin-1-yl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-ethyl-3-methylpiperazin-1-yl)-6-methylpyrimidin-2-amine
PubChem CID80834370
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name4-(4-ethyl-3-methylpiperazin-1-yl)-6-methylpyrimidin-2-amine
SMILESCCN1CCN(c2cc(C)nc(N)n2)CC1C
InChIInChI=1S/C12H21N5/c1-4-16-5-6-17(8-10(16)3)11-7-9(2)14-12(13)15-11/h7,10H,4-6,8H2,1-3H3,(H2,13,14,15)
InChIKeySYVLSFAHCYIAAG-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 4-(4-ethyl-3-methylpiperazin-1-yl)-6-methylpyrimidin-2-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

Crimidine
CID 10813
2,6-Dimethyl-4-aminopyrimidine
CID 68039
6-(4-Methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 753256
2,4-Dimethyl-6-(piperazin-1-yl)pyrimidine
CID 4778269
4-Methyl-2,6-di(piperidin-1-yl)pyrimidine
CID 893737
4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 3228743
4-t-Butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylamine
CID 24797775
4-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24994945
4-Tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 25128826
4-N,4-N-diethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 25129180
2-N,4-N-dicyclohexyl-6-methylpyrimidine-2,4-diamine
CID 46225979
4-[(3R)-3-aminopyrrolidin-1-yl]-6-ethylpyrimidin-2-amine
CID 53258370

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-3-methylpiperazin-1-yl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(4-ethyl-3-methylpiperazin-1-yl)-6-methylpyrimidin-2-amine (CID 80834370) is 4-(4-ethyl-3-methylpiperazin-1-yl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-ethyl-3-methylpiperazin-1-yl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(4-ethyl-3-methylpiperazin-1-yl)-6-methylpyrimidin-2-amine is CCN1CCN(c2cc(C)nc(N)n2)CC1C.
What is the InChIKey of 4-(4-ethyl-3-methylpiperazin-1-yl)-6-methylpyrimidin-2-amine?
The InChIKey is SYVLSFAHCYIAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-4-16-5-6-17(8-10(16)3)11-7-9(2)14-12(13)15-11/h7,10H,4-6,8H2,1-3H3,(H2,13,14,15).
What are the key properties of 4-(4-ethyl-3-methylpiperazin-1-yl)-6-methylpyrimidin-2-amine?
4-(4-ethyl-3-methylpiperazin-1-yl)-6-methylpyrimidin-2-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 4-(4-ethyl-3-methylpiperazin-1-yl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 80834370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).