6-N,2,5-trimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine

C13H24N4 — CID 80783396

IUPAC6-N,2,5-trimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NC(C)CC(C)C)c1C
InChIInChI=1S/C13H24N4/c1-8(2)7-9(3)15-13-10(4)12(14-6)16-11(5)17-13/h8-9H,7H2,1-6H3,(H2,14,15,16,17)
InChIKeyKEROQNLCLOUKNM-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.98
Rot. Bonds5

About 6-N,2,5-trimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine

6-N,2,5-trimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine (PubChem CID 80783396) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 6-N,2,5-trimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2,5-trimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
PubChem CID80783396
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name6-N,2,5-trimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NC(C)CC(C)C)c1C
InChIInChI=1S/C13H24N4/c1-8(2)7-9(3)15-13-10(4)12(14-6)16-11(5)17-13/h8-9H,7H2,1-6H3,(H2,14,15,16,17)
InChIKeyKEROQNLCLOUKNM-UHFFFAOYSA-N
XLogP2.98
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-N,2,5-trimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-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-butan-2-yl-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80765465
6-N,2,5-trimethyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine
CID 80831033
6-N,5-dimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80783731
6-N,2,5-trimethyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80809420
6-N,5-dimethyl-4-N-(4-methylhexan-2-yl)-2-propylpyrimidine-4,6-diamine
CID 80991797
4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80841759
6-N,2,5-trimethyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine
CID 115327702
6-N,2,5-trimethyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine
CID 107818951
3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83179481
4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80813302
N-(1-ethoxypropan-2-yl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80903132
4-N-butan-2-yl-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80766465

Frequently Asked Questions

What is the IUPAC name of 6-N,2,5-trimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2,5-trimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine (CID 80783396) is 6-N,2,5-trimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2,5-trimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2,5-trimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine is CNc1nc(C)nc(NC(C)CC(C)C)c1C.
What is the InChIKey of 6-N,2,5-trimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is KEROQNLCLOUKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-8(2)7-9(3)15-13-10(4)12(14-6)16-11(5)17-13/h8-9H,7H2,1-6H3,(H2,14,15,16,17).
What are the key properties of 6-N,2,5-trimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine?
6-N,2,5-trimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2,5-trimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80783396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).