N-(4-methoxyphenyl)-4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)pyrimidin-2-amine

C21H18N4O2 — CID 23640779

IUPACN-(4-methoxyphenyl)-4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)pyrimidin-2-amine
SMILESCOc1ccc(Nc2nc(C)cc(-c3cc(-c4ccccc4)on3)n2)cc1
InChIInChI=1S/C21H18N4O2/c1-14-12-18(19-13-20(27-25-19)15-6-4-3-5-7-15)24-21(22-14)23-16-8-10-17(26-2)11-9-16/h3-13H,1-2H3,(H,22,23,24)
InChIKeyIYZMAHJTPCZKRX-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.86
Rot. Bonds5

About N-(4-methoxyphenyl)-4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)pyrimidin-2-amine

N-(4-methoxyphenyl)-4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)pyrimidin-2-amine (PubChem CID 23640779) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)pyrimidin-2-amine
PubChem CID23640779
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-(4-methoxyphenyl)-4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)pyrimidin-2-amine
SMILESCOc1ccc(Nc2nc(C)cc(-c3cc(-c4ccccc4)on3)n2)cc1
InChIInChI=1S/C21H18N4O2/c1-14-12-18(19-13-20(27-25-19)15-6-4-3-5-7-15)24-21(22-14)23-16-8-10-17(26-2)11-9-16/h3-13H,1-2H3,(H,22,23,24)
InChIKeyIYZMAHJTPCZKRX-UHFFFAOYSA-N
XLogP4.86
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole
CID 58157241
3,5-bis(4-methoxyphenyl)-1,2-oxazole
CID 10956920
4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-[6-(4-methoxyphenyl)pyridazin-3-yl]benzene-1,4-diamine
CID 108777599
6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112931859
4-N-tert-butyl-2-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937801
2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334565
N-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936317
4-methyl-6-(5-methylthiophen-2-yl)-N-phenylpyrimidin-2-amine
CID 14347206
3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole
CID 67512216
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 43843486
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
N-benzyl-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 46173648

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)pyrimidin-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)pyrimidin-2-amine (CID 23640779) is N-(4-methoxyphenyl)-4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)pyrimidin-2-amine is COc1ccc(Nc2nc(C)cc(-c3cc(-c4ccccc4)on3)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)pyrimidin-2-amine?
The InChIKey is IYZMAHJTPCZKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14-12-18(19-13-20(27-25-19)15-6-4-3-5-7-15)24-21(22-14)23-16-8-10-17(26-2)11-9-16/h3-13H,1-2H3,(H,22,23,24).
What are the key properties of N-(4-methoxyphenyl)-4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)pyrimidin-2-amine?
N-(4-methoxyphenyl)-4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)pyrimidin-2-amine has a molecular weight of 358.40 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 23640779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).