6-N-ethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine

C17H24N4 — CID 80960320

IUPAC6-N-ethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2ccc(C)cc2)nc(C(C)C)n1
InChIInChI=1S/C17H24N4/c1-5-18-15-10-16(21-17(20-15)12(2)3)19-11-14-8-6-13(4)7-9-14/h6-10,12H,5,11H2,1-4H3,(H2,18,19,20,21)
InChIKeyGJHUEVSPOWPGHS-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.95
Rot. Bonds6

About 6-N-ethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine

6-N-ethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80960320) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 6-N-ethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80960320
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name6-N-ethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2ccc(C)cc2)nc(C(C)C)n1
InChIInChI=1S/C17H24N4/c1-5-18-15-10-16(21-17(20-15)12(2)3)19-11-14-8-6-13(4)7-9-14/h6-10,12H,5,11H2,1-4H3,(H2,18,19,20,21)
InChIKeyGJHUEVSPOWPGHS-UHFFFAOYSA-N
XLogP3.95
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-N-ethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-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-[(4-ethylphenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 106900939
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961112
4-N-[(4-bromophenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956053
4-N-butan-2-yl-2-methyl-6-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112868240
6-N-ethyl-4-N-[(4-methyl-3-pyridinyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 114957968
6-(4-methylphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80952017
6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960727
N-ethyl-2-propan-2-yl-6-propylpyrimidin-4-amine
CID 62192677
6-N-ethyl-4-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80778027
N-ethyl-2,6-di(propan-2-yl)pyrimidin-4-amine
CID 62191637
6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960412
6-N-ethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955647

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine (CID 80960320) is 6-N-ethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine is CCNc1cc(NCc2ccc(C)cc2)nc(C(C)C)n1.
What is the InChIKey of 6-N-ethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is GJHUEVSPOWPGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-5-18-15-10-16(21-17(20-15)12(2)3)19-11-14-8-6-13(4)7-9-14/h6-10,12H,5,11H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 6-N-ethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80960320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).