4-N-tert-butyl-2-methyl-6-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine

C18H26N4 — CID 112875926

IUPAC4-N-tert-butyl-2-methyl-6-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
SMILESCc1cc(C)c(Nc2cc(NC(C)(C)C)nc(C)n2)c(C)c1
InChIInChI=1S/C18H26N4/c1-11-8-12(2)17(13(3)9-11)21-15-10-16(20-14(4)19-15)22-18(5,6)7/h8-10H,1-7H3,(H2,19,20,21,22)
InChIKeyJKYXWMOVXFGCEI-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.66
Rot. Bonds3

About 4-N-tert-butyl-2-methyl-6-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine

4-N-tert-butyl-2-methyl-6-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine (PubChem CID 112875926) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-N-tert-butyl-2-methyl-6-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-2-methyl-6-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
PubChem CID112875926
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name4-N-tert-butyl-2-methyl-6-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
SMILESCc1cc(C)c(Nc2cc(NC(C)(C)C)nc(C)n2)c(C)c1
InChIInChI=1S/C18H26N4/c1-11-8-12(2)17(13(3)9-11)21-15-10-16(20-14(4)19-15)22-18(5,6)7/h8-10H,1-7H3,(H2,19,20,21,22)
InChIKeyJKYXWMOVXFGCEI-UHFFFAOYSA-N
XLogP4.66
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-tert-butyl-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112875910
4-N-tert-butyl-6-N-(3,5-dichlorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112875999
4-N-tert-butyl-6-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112875919
4-N-tert-butyl-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112875932
4-N,4-N-diethyl-2-methyl-6-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
CID 112875669
6-N-(3-bromo-4-methylphenyl)-4-N-tert-butyl-2-methylpyrimidine-4,6-diamine
CID 112875945
4-N-tert-butyl-6-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112876003
4-N-tert-butyl-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867710
2-methyl-6-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112869240
4-N-(2-chloro-4,6-dimethylphenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878188
6-N-(1,3-benzodioxol-5-yl)-4-N-tert-butyl-2-methylpyrimidine-4,6-diamine
CID 112875985
4-N-tert-butyl-2-methyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872076

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-2-methyl-6-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-tert-butyl-2-methyl-6-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine (CID 112875926) is 4-N-tert-butyl-2-methyl-6-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-tert-butyl-2-methyl-6-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-tert-butyl-2-methyl-6-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine is Cc1cc(C)c(Nc2cc(NC(C)(C)C)nc(C)n2)c(C)c1.
What is the InChIKey of 4-N-tert-butyl-2-methyl-6-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine?
The InChIKey is JKYXWMOVXFGCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-11-8-12(2)17(13(3)9-11)21-15-10-16(20-14(4)19-15)22-18(5,6)7/h8-10H,1-7H3,(H2,19,20,21,22).
What are the key properties of 4-N-tert-butyl-2-methyl-6-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine?
4-N-tert-butyl-2-methyl-6-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine has a molecular weight of 298.43 g/mol, XLogP of 4.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-2-methyl-6-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112875926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).