4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine

C17H24N4O2 — CID 112924686

IUPAC4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccc(OC)c(Nc2nc(C)cc(NC(C)(C)C)n2)c1
InChIInChI=1S/C17H24N4O2/c1-11-9-15(21-17(2,3)4)20-16(18-11)19-13-10-12(22-5)7-8-14(13)23-6/h7-10H,1-6H3,(H2,18,19,20,21)
InChIKeyHSAWIRMYRWUHOQ-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.76
Rot. Bonds5

About 4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine

4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112924686) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112924686
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccc(OC)c(Nc2nc(C)cc(NC(C)(C)C)n2)c1
InChIInChI=1S/C17H24N4O2/c1-11-9-15(21-17(2,3)4)20-16(18-11)19-13-10-12(22-5)7-8-14(13)23-6/h7-10H,1-6H3,(H2,18,19,20,21)
InChIKeyHSAWIRMYRWUHOQ-UHFFFAOYSA-N
XLogP3.76
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937807
4-N-(2,5-dimethoxyphenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930724
4-N-(2,5-dimethoxyphenyl)-2-N-(3,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928330
4-N-(2,5-dimethoxyphenyl)-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929390
4-N-(4-chloro-2-methylphenyl)-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930022
4-N-(2,5-dimethoxyphenyl)-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908787
3-N-tert-butyl-5-N-(2,5-dimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112959071
2-N-(2,6-difluorophenyl)-4-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112931156
methyl 2-[[2-(2,5-dimethoxyanilino)-6-methylpyrimidin-4-yl]amino]benzoate
CID 112931164
4-N-(2-chloro-4,6-dimethylphenyl)-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930220
4-N-tert-butyl-6-methyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112924723
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112931170

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine (CID 112924686) is 4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine is COc1ccc(OC)c(Nc2nc(C)cc(NC(C)(C)C)n2)c1.
What is the InChIKey of 4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is HSAWIRMYRWUHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11-9-15(21-17(2,3)4)20-16(18-11)19-13-10-12(22-5)7-8-14(13)23-6/h7-10H,1-6H3,(H2,18,19,20,21).
What are the key properties of 4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine?
4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 316.41 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112924686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).