4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine

C18H26N4 — CID 112876148

IUPAC4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCCC(C)C)cc(Nc2cccc(C)c2C)n1
InChIInChI=1S/C18H26N4/c1-12(2)9-10-19-17-11-18(21-15(5)20-17)22-16-8-6-7-13(3)14(16)4/h6-8,11-12H,9-10H2,1-5H3,(H2,19,20,21,22)
InChIKeyFXRWZRQBWLFCPF-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.60
Rot. Bonds6

About 4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine

4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine (PubChem CID 112876148) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
PubChem CID112876148
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCCC(C)C)cc(Nc2cccc(C)c2C)n1
InChIInChI=1S/C18H26N4/c1-12(2)9-10-19-17-11-18(21-15(5)20-17)22-16-8-6-7-13(3)14(16)4/h6-8,11-12H,9-10H2,1-5H3,(H2,19,20,21,22)
InChIKeyFXRWZRQBWLFCPF-UHFFFAOYSA-N
XLogP4.60
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868124
4-N-(2,3-dimethylphenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80761966
2-methyl-6-N-(3-methylbutyl)-4-N-(2-phenoxyphenyl)pyrimidine-4,6-diamine
CID 112876216
4-N-(2,3-dimethylphenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112873954
2,3-dimethyl-N-(3-methylbutyl)aniline
CID 29053614
4-N-tert-butyl-6-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112875919
4-N-(2,3-dimethylphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876874
4-N-(3-chloro-4-methylphenyl)-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112876166
4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112873428
6-hydrazinyl-2-methyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 80932318
4-N-(3-bromo-2-methylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 107638809
4-N-cyclopropyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112867516

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine (CID 112876148) is 4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine is Cc1nc(NCCC(C)C)cc(Nc2cccc(C)c2C)n1.
What is the InChIKey of 4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine?
The InChIKey is FXRWZRQBWLFCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-12(2)9-10-19-17-11-18(21-15(5)20-17)22-16-8-6-7-13(3)14(16)4/h6-8,11-12H,9-10H2,1-5H3,(H2,19,20,21,22).
What are the key properties of 4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine?
4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine has a molecular weight of 298.43 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112876148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).