4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine

C15H15N5O — CID 112902014

IUPAC4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nccc(Nc3cc(C)on3)n2)cc1
InChIInChI=1S/C15H15N5O/c1-10-3-5-12(6-4-10)17-15-16-8-7-13(19-15)18-14-9-11(2)21-20-14/h3-9H,1-2H3,(H2,16,17,18,19,20)
InChIKeyFRSOEHPFTJYFPH-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.57
Rot. Bonds4

About 4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine

4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 112902014) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
PubChem CID112902014
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nccc(Nc3cc(C)on3)n2)cc1
InChIInChI=1S/C15H15N5O/c1-10-3-5-12(6-4-10)17-15-16-8-7-13(19-15)18-14-9-11(2)21-20-14/h3-9H,1-2H3,(H2,16,17,18,19,20)
InChIKeyFRSOEHPFTJYFPH-UHFFFAOYSA-N
XLogP3.57
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(3,4-dichlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112906657
5-methyl-N-(4-methylphenyl)-1,2-oxazol-3-amine
CID 122548872
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314183
4-N-(3,4-dichlorophenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112902002
2-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112899999
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889963
4-N-(2,3-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112906719
2-N-(4-chlorophenyl)-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112929887
bis(2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine);bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)
CID 158640919
2-N-ethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 80761602
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893554
2-(4-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109318283

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine (CID 112902014) is 4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine is Cc1ccc(Nc2nccc(Nc3cc(C)on3)n2)cc1.
What is the InChIKey of 4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is FRSOEHPFTJYFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-10-3-5-12(6-4-10)17-15-16-8-7-13(19-15)18-14-9-11(2)21-20-14/h3-9H,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine?
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 281.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112902014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).