2-N,5-dimethyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine

C13H24N4 — CID 80847650

IUPAC2-N,5-dimethyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine
SMILESCCC(C)CC(C)Nc1nc(NC)ncc1C
InChIInChI=1S/C13H24N4/c1-6-9(2)7-11(4)16-12-10(3)8-15-13(14-5)17-12/h8-9,11H,6-7H2,1-5H3,(H2,14,15,16,17)
InChIKeyMLXSGMVVQBJPLW-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.06
Rot. Bonds6

About 2-N,5-dimethyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine

2-N,5-dimethyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine (PubChem CID 80847650) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-N,5-dimethyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,5-dimethyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine
PubChem CID80847650
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-N,5-dimethyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine
SMILESCCC(C)CC(C)Nc1nc(NC)ncc1C
InChIInChI=1S/C13H24N4/c1-6-9(2)7-11(4)16-12-10(3)8-15-13(14-5)17-12/h8-9,11H,6-7H2,1-5H3,(H2,14,15,16,17)
InChIKeyMLXSGMVVQBJPLW-UHFFFAOYSA-N
XLogP3.06
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N,5-dimethyl-4-N-(4-methylhexan-2-yl)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

5-bromo-2-N-methyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine
CID 80846989
4-N-heptan-2-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80803176
4-N-(1-methoxypropan-2-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80785415
4-N-(1-cyclopropylpropan-2-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80839809
4-N-hexan-3-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80817968
2-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine
CID 80753695
4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80808240
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80800370
1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80780223
4-N-butan-2-yl-5-methylpyrimidine-2,4-diamine
CID 67950742
4-N-(1-ethoxypropan-2-yl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80813857
5-fluoro-2-N-methyl-4-N-pentan-2-ylpyrimidine-2,4-diamine
CID 80770323

Frequently Asked Questions

What is the IUPAC name of 2-N,5-dimethyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,5-dimethyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine (CID 80847650) is 2-N,5-dimethyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,5-dimethyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,5-dimethyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine is CCC(C)CC(C)Nc1nc(NC)ncc1C.
What is the InChIKey of 2-N,5-dimethyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is MLXSGMVVQBJPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-6-9(2)7-11(4)16-12-10(3)8-15-13(14-5)17-12/h8-9,11H,6-7H2,1-5H3,(H2,14,15,16,17).
What are the key properties of 2-N,5-dimethyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine?
2-N,5-dimethyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 236.36 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-dimethyl-4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80847650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).