5-tert-butyl-3-methyl-1,2-oxazole;4-N-(4-methylphenyl)pyrimidine-2,4,6-triamine

C19H26N6O — CID 143053384

IUPAC5-tert-butyl-3-methyl-1,2-oxazole;4-N-(4-methylphenyl)pyrimidine-2,4,6-triamine
SMILESCc1cc(C(C)(C)C)on1.Cc1ccc(Nc2cc(N)nc(N)n2)cc1
InChIInChI=1S/C11H13N5.C8H13NO/c1-7-2-4-8(5-3-7)14-10-6-9(12)15-11(13)16-10;1-6-5-7(10-9-6)8(2,3)4/h2-6H,1H3,(H5,12,13,14,15,16);5H,1-4H3
InChIKeyGIYQCBJRQYPOOP-UHFFFAOYSA-N
MW354.46 g/mol
LogP3.97
Rot. Bonds2

About 5-tert-butyl-3-methyl-1,2-oxazole;4-N-(4-methylphenyl)pyrimidine-2,4,6-triamine

5-tert-butyl-3-methyl-1,2-oxazole;4-N-(4-methylphenyl)pyrimidine-2,4,6-triamine (PubChem CID 143053384) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 5-tert-butyl-3-methyl-1,2-oxazole;4-N-(4-methylphenyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name5-tert-butyl-3-methyl-1,2-oxazole;4-N-(4-methylphenyl)pyrimidine-2,4,6-triamine
PubChem CID143053384
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name5-tert-butyl-3-methyl-1,2-oxazole;4-N-(4-methylphenyl)pyrimidine-2,4,6-triamine
SMILESCc1cc(C(C)(C)C)on1.Cc1ccc(Nc2cc(N)nc(N)n2)cc1
InChIInChI=1S/C11H13N5.C8H13NO/c1-7-2-4-8(5-3-7)14-10-6-9(12)15-11(13)16-10;1-6-5-7(10-9-6)8(2,3)4/h2-6H,1H3,(H5,12,13,14,15,16);5H,1-4H3
InChIKeyGIYQCBJRQYPOOP-UHFFFAOYSA-N
XLogP3.97
TPSA115.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-N,6-N-bis(4-tert-butylphenyl)pyrimidine-2,4,6-triamine
CID 101085708
1-N'-(5-tert-butyl-1,2-oxazol-3-yl)-1-N-(4-methylphenyl)ethene-1,1-diamine
CID 143052390
4-ethyl-6-N-(4-methylphenyl)pyridine-2,6-diamine
CID 135201746
4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4,6-triamine
CID 80812289
4-N-(4-methoxy-3-methylphenyl)pyrimidine-2,4,6-triamine
CID 80802485
5-methyl-N-(4-methylphenyl)-1,2-oxazol-3-amine
CID 122548872
6-(2,5-dichlorophenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 11313962
2-tert-butyl-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine
CID 80955700
4-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
CID 80790051
2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 12655286
6-methyl-4-N-[4-[2-(4-methylphenoxy)ethyl]phenyl]pyrimidine-2,4-diamine
CID 135201952
6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927319

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-methyl-1,2-oxazole;4-N-(4-methylphenyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 5-tert-butyl-3-methyl-1,2-oxazole;4-N-(4-methylphenyl)pyrimidine-2,4,6-triamine (CID 143053384) is 5-tert-butyl-3-methyl-1,2-oxazole;4-N-(4-methylphenyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 5-tert-butyl-3-methyl-1,2-oxazole;4-N-(4-methylphenyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 5-tert-butyl-3-methyl-1,2-oxazole;4-N-(4-methylphenyl)pyrimidine-2,4,6-triamine is Cc1cc(C(C)(C)C)on1.Cc1ccc(Nc2cc(N)nc(N)n2)cc1.
What is the InChIKey of 5-tert-butyl-3-methyl-1,2-oxazole;4-N-(4-methylphenyl)pyrimidine-2,4,6-triamine?
The InChIKey is GIYQCBJRQYPOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5.C8H13NO/c1-7-2-4-8(5-3-7)14-10-6-9(12)15-11(13)16-10;1-6-5-7(10-9-6)8(2,3)4/h2-6H,1H3,(H5,12,13,14,15,16);5H,1-4H3.
What are the key properties of 5-tert-butyl-3-methyl-1,2-oxazole;4-N-(4-methylphenyl)pyrimidine-2,4,6-triamine?
5-tert-butyl-3-methyl-1,2-oxazole;4-N-(4-methylphenyl)pyrimidine-2,4,6-triamine has a molecular weight of 354.46 g/mol, XLogP of 3.97, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-methyl-1,2-oxazole;4-N-(4-methylphenyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 143053384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).