5-ethyl-4-N-methylpyrimidine-4,6-diamine

C7H12N4 — CID 80770928

IUPAC5-ethyl-4-N-methylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NC
InChIInChI=1S/C7H12N4/c1-3-5-6(8)10-4-11-7(5)9-2/h4H,3H2,1-2H3,(H3,8,9,10,11)
InChIKeyKMXUOQUDGYGINP-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.66
Rot. Bonds2

About 5-ethyl-4-N-methylpyrimidine-4,6-diamine

5-ethyl-4-N-methylpyrimidine-4,6-diamine (PubChem CID 80770928) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 5-ethyl-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-methylpyrimidine-4,6-diamine
PubChem CID80770928
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name5-ethyl-4-N-methylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NC
InChIInChI=1S/C7H12N4/c1-3-5-6(8)10-4-11-7(5)9-2/h4H,3H2,1-2H3,(H3,8,9,10,11)
InChIKeyKMXUOQUDGYGINP-UHFFFAOYSA-N
XLogP0.66
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-4-N-methylpyrimidine-4,6-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-N-cyclobutyl-5-ethylpyrimidine-4,6-diamine
CID 80827503
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propan-1-ol
CID 80770990
5-ethyl-4-N-(3-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80803162
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
CID 106198513
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366531
4-N-(2-ethoxy-2-methylpropyl)-5-ethylpyrimidine-4,6-diamine
CID 114944680
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propane-1,2-diol
CID 80850758
4-N-(4-bromophenyl)-5-ethylpyrimidine-4,6-diamine
CID 80760702
6-[(6-amino-5-ethylpyrimidin-4-yl)amino]hexan-1-ol
CID 107855342
4-N-(4-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine
CID 80762731
N-[2-[(6-amino-5-ethylpyrimidin-4-yl)amino]ethyl]acetamide
CID 80788685
5-ethyl-4-N-(2-ethylphenyl)pyrimidine-4,6-diamine
CID 80761572

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-methylpyrimidine-4,6-diamine (CID 80770928) is 5-ethyl-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-methylpyrimidine-4,6-diamine is CCc1c(N)ncnc1NC.
What is the InChIKey of 5-ethyl-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is KMXUOQUDGYGINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-3-5-6(8)10-4-11-7(5)9-2/h4H,3H2,1-2H3,(H3,8,9,10,11).
What are the key properties of 5-ethyl-4-N-methylpyrimidine-4,6-diamine?
5-ethyl-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 152.20 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80770928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).