2-N-(3,5-dimethylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine

C17H24N4 — CID 112924103

IUPAC2-N-(3,5-dimethylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
SMILESCCN(CC)c1cc(C)nc(Nc2cc(C)cc(C)c2)n1
InChIInChI=1S/C17H24N4/c1-6-21(7-2)16-11-14(5)18-17(20-16)19-15-9-12(3)8-13(4)10-15/h8-11H,6-7H2,1-5H3,(H,18,19,20)
InChIKeyJORCRIOCRYXISB-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.99
Rot. Bonds5

About 2-N-(3,5-dimethylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine

2-N-(3,5-dimethylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine (PubChem CID 112924103) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-N-(3,5-dimethylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,5-dimethylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
PubChem CID112924103
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-N-(3,5-dimethylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
SMILESCCN(CC)c1cc(C)nc(Nc2cc(C)cc(C)c2)n1
InChIInChI=1S/C17H24N4/c1-6-21(7-2)16-11-14(5)18-17(20-16)19-15-9-12(3)8-13(4)10-15/h8-11H,6-7H2,1-5H3,(H,18,19,20)
InChIKeyJORCRIOCRYXISB-UHFFFAOYSA-N
XLogP3.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-(3,5-dimethylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-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

2-N-(4-bromo-3-methylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924168
2-N-(3-chlorophenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924119
4-N,4-N-diethyl-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112924138
N-[3-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112924147
2-N-butan-2-yl-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112909105
2-N-(2,4-difluorophenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924174
2-N,4-N-bis(3,5-dimethylphenyl)-6-N-ethyl-1,3,5-triazine-2,4,6-triamine
CID 102301037
4-N-benzyl-4-N-ethyl-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112918940
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenylbenzamide
CID 18566738
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-5-fluoro-2-methylbenzenesulfonamide
CID 121032523
N-(3,5-dimethylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine
CID 134173031
4-N-benzyl-2-N-(3-chloro-4-methylphenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 112918933

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-dimethylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3,5-dimethylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine (CID 112924103) is 2-N-(3,5-dimethylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3,5-dimethylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3,5-dimethylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine is CCN(CC)c1cc(C)nc(Nc2cc(C)cc(C)c2)n1.
What is the InChIKey of 2-N-(3,5-dimethylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is JORCRIOCRYXISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-6-21(7-2)16-11-14(5)18-17(20-16)19-15-9-12(3)8-13(4)10-15/h8-11H,6-7H2,1-5H3,(H,18,19,20).
What are the key properties of 2-N-(3,5-dimethylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine?
2-N-(3,5-dimethylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-dimethylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112924103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).