4-ethyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine

C11H22N6 — CID 143492547

IUPAC4-ethyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine
SMILESCCC1(N)C=C(N2CCN(C)CC2)NC(N)=N1
InChIInChI=1S/C11H22N6/c1-3-11(13)8-9(14-10(12)15-11)17-6-4-16(2)5-7-17/h8H,3-7,13H2,1-2H3,(H3,12,14,15)
InChIKeyILVDKJNTICVSTR-UHFFFAOYSA-N
MW238.34 g/mol
LogP-0.94
Rot. Bonds2

About 4-ethyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine

4-ethyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine (PubChem CID 143492547) has the molecular formula C11H22N6 and a molecular weight of 238.34 g/mol. Its IUPAC name is 4-ethyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-ethyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine
PubChem CID143492547
Molecular FormulaC11H22N6
Molecular Weight238.34 g/mol
Exact Mass238.19
IUPAC Name4-ethyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine
SMILESCCC1(N)C=C(N2CCN(C)CC2)NC(N)=N1
InChIInChI=1S/C11H22N6/c1-3-11(13)8-9(14-10(12)15-11)17-6-4-16(2)5-7-17/h8H,3-7,13H2,1-2H3,(H3,12,14,15)
InChIKeyILVDKJNTICVSTR-UHFFFAOYSA-N
XLogP-0.94
TPSA82.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-ethyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine 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

4-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4,6-triamine
CID 69052223
N-[(E)-1-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(methylamino)prop-1-enyl]-N'-methylmethanimidamide
CID 118973028
N'-methyl-N-[(E)-3-(methylamino)-1-(4-methylpiperazin-1-yl)prop-1-enyl]methanimidamide
CID 118973132
4-Methyl-6-piperazin-1-yl-1,4-dihydropyrimidine
CID 118973363
4-Methyl-2-methylimino-6-(4-methylpiperazin-1-yl)-1,3-dihydropyrimidin-4-amine
CID 136388158
4,4-dimethyl-2-piperazin-1-yl-1H-pyrimidine
CID 139986213
6-(4-Ethylpiperazin-1-yl)-4-methyl-1,4-dihydropyrimidine
CID 144696996
4-methyl-6-piperazin-1-yl-1H-pyrimidine-2,4-diamine
CID 149683400
4-N,4-dimethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-diamine
CID 150184202
4-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine
CID 150437451
4-(3,3-dimethylbutyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine
CID 150809584
6-piperazin-1-yl-4-propan-2-yl-1H-pyrimidine-2,4-diamine
CID 151379503

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-ethyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine (CID 143492547) is 4-ethyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-ethyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-ethyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine is CCC1(N)C=C(N2CCN(C)CC2)NC(N)=N1.
What is the InChIKey of 4-ethyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine?
The InChIKey is ILVDKJNTICVSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6/c1-3-11(13)8-9(14-10(12)15-11)17-6-4-16(2)5-7-17/h8H,3-7,13H2,1-2H3,(H3,12,14,15).
What are the key properties of 4-ethyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine?
4-ethyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine has a molecular weight of 238.34 g/mol, XLogP of -0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 143492547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).