4-N-ethyl-2-methyl-4-N-propylpyrimidine-4,6-diamine

C10H18N4 — CID 80775488

IUPAC4-N-ethyl-2-methyl-4-N-propylpyrimidine-4,6-diamine
SMILESCCCN(CC)c1cc(N)nc(C)n1
InChIInChI=1S/C10H18N4/c1-4-6-14(5-2)10-7-9(11)12-8(3)13-10/h7H,4-6H2,1-3H3,(H2,11,12,13)
InChIKeyZKNIOQGQXDBCMD-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.60
Rot. Bonds4

About 4-N-ethyl-2-methyl-4-N-propylpyrimidine-4,6-diamine

4-N-ethyl-2-methyl-4-N-propylpyrimidine-4,6-diamine (PubChem CID 80775488) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-N-ethyl-2-methyl-4-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-methyl-4-N-propylpyrimidine-4,6-diamine
PubChem CID80775488
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name4-N-ethyl-2-methyl-4-N-propylpyrimidine-4,6-diamine
SMILESCCCN(CC)c1cc(N)nc(C)n1
InChIInChI=1S/C10H18N4/c1-4-6-14(5-2)10-7-9(11)12-8(3)13-10/h7H,4-6H2,1-3H3,(H2,11,12,13)
InChIKeyZKNIOQGQXDBCMD-UHFFFAOYSA-N
XLogP1.60
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-ethyl-2-methyl-4-N-propylpyrimidine-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

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-methyl-4-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-2-methyl-4-N-propylpyrimidine-4,6-diamine (CID 80775488) is 4-N-ethyl-2-methyl-4-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-2-methyl-4-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-2-methyl-4-N-propylpyrimidine-4,6-diamine is CCCN(CC)c1cc(N)nc(C)n1.
What is the InChIKey of 4-N-ethyl-2-methyl-4-N-propylpyrimidine-4,6-diamine?
The InChIKey is ZKNIOQGQXDBCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-4-6-14(5-2)10-7-9(11)12-8(3)13-10/h7H,4-6H2,1-3H3,(H2,11,12,13).
What are the key properties of 4-N-ethyl-2-methyl-4-N-propylpyrimidine-4,6-diamine?
4-N-ethyl-2-methyl-4-N-propylpyrimidine-4,6-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-methyl-4-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80775488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).