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

C22H21N5O — CID 112938159

IUPAC2-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
SMILESCc1cc(C)cc(Nc2nc(Nc3cc(C)on3)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C22H21N5O/c1-14-9-15(2)11-18(10-14)23-22-24-19(17-7-5-4-6-8-17)13-20(26-22)25-21-12-16(3)28-27-21/h4-13H,1-3H3,(H2,23,24,25,26,27)
InChIKeyKXXIIFDFADJGHD-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.54
Rot. Bonds5

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

2-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine (PubChem CID 112938159) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
PubChem CID112938159
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name2-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
SMILESCc1cc(C)cc(Nc2nc(Nc3cc(C)on3)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C22H21N5O/c1-14-9-15(2)11-18(10-14)23-22-24-19(17-7-5-4-6-8-17)13-20(26-22)25-21-12-16(3)28-27-21/h4-13H,1-3H3,(H2,23,24,25,26,27)
InChIKeyKXXIIFDFADJGHD-UHFFFAOYSA-N
XLogP5.54
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(4-chlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112938199
4-N-(2,4-dimethylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112938152
4-N-(4-ethylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112938166
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112933893
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[(2-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112936923
4-N-(4-ethoxyphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112938237
4-N-cyclopentyl-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112934408
4-N-[2-(dimethylamino)ethyl]-2-N-(3,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935842
2-N-[2-(dimethylamino)ethyl]-4-N-(3,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935959
2-N-(3,5-dimethylphenyl)-6-phenyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937130
6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112931859
1-[4-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-6-phenylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112936718

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine (CID 112938159) is 2-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine is Cc1cc(C)cc(Nc2nc(Nc3cc(C)on3)cc(-c3ccccc3)n2)c1.
What is the InChIKey of 2-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine?
The InChIKey is KXXIIFDFADJGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-14-9-15(2)11-18(10-14)23-22-24-19(17-7-5-4-6-8-17)13-20(26-22)25-21-12-16(3)28-27-21/h4-13H,1-3H3,(H2,23,24,25,26,27).
What are the key properties of 2-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine?
2-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine has a molecular weight of 371.44 g/mol, XLogP of 5.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112938159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).