4-N-(4-ethylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine

C22H21N5O — CID 112938166

IUPAC4-N-(4-ethylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
SMILESCCc1ccc(Nc2cc(-c3ccccc3)nc(Nc3cc(C)on3)n2)cc1
InChIInChI=1S/C22H21N5O/c1-3-16-9-11-18(12-10-16)23-20-14-19(17-7-5-4-6-8-17)24-22(25-20)26-21-13-15(2)28-27-21/h4-14H,3H2,1-2H3,(H2,23,24,25,26,27)
InChIKeyXGHRPBFPJQEGKL-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.49
Rot. Bonds6

About 4-N-(4-ethylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine

4-N-(4-ethylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine (PubChem CID 112938166) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-N-(4-ethylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-ethylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
PubChem CID112938166
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name4-N-(4-ethylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
SMILESCCc1ccc(Nc2cc(-c3ccccc3)nc(Nc3cc(C)on3)n2)cc1
InChIInChI=1S/C22H21N5O/c1-3-16-9-11-18(12-10-16)23-20-14-19(17-7-5-4-6-8-17)24-22(25-20)26-21-13-15(2)28-27-21/h4-14H,3H2,1-2H3,(H2,23,24,25,26,27)
InChIKeyXGHRPBFPJQEGKL-UHFFFAOYSA-N
XLogP5.49
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(4-ethoxyphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112938237
2-N-(4-chlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112938199
2-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112938159
4-N-(2,4-dimethylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112938152
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112933893
4-N-cyclopentyl-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112934408
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[(2-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112936923
2-N-(4-ethylphenyl)-6-phenyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937134
2-N-benzyl-4-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936904
4-N-(3,4-dimethylphenyl)-6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112928213
6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112931859
6-N-(4-methoxyphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 112881709

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-ethylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine (CID 112938166) is 4-N-(4-ethylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-ethylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-ethylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine is CCc1ccc(Nc2cc(-c3ccccc3)nc(Nc3cc(C)on3)n2)cc1.
What is the InChIKey of 4-N-(4-ethylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine?
The InChIKey is XGHRPBFPJQEGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-3-16-9-11-18(12-10-16)23-20-14-19(17-7-5-4-6-8-17)24-22(25-20)26-21-13-15(2)28-27-21/h4-14H,3H2,1-2H3,(H2,23,24,25,26,27).
What are the key properties of 4-N-(4-ethylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine?
4-N-(4-ethylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine has a molecular weight of 371.44 g/mol, XLogP of 5.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112938166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).