5-methyl-3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine

C21H20N4O — CID 53004098

IUPAC5-methyl-3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
SMILESCc1ccc(CNc2nc(C)nc3c(-c4ccc(C)cc4)noc23)cc1
InChIInChI=1S/C21H20N4O/c1-13-4-8-16(9-5-13)12-22-21-20-19(23-15(3)24-21)18(25-26-20)17-10-6-14(2)7-11-17/h4-11H,12H2,1-3H3,(H,22,23,24)
InChIKeyHSLZMKGYDZUUDY-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.82
Rot. Bonds4

About 5-methyl-3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine

5-methyl-3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine (PubChem CID 53004098) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 5-methyl-3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
PubChem CID53004098
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name5-methyl-3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
SMILESCc1ccc(CNc2nc(C)nc3c(-c4ccc(C)cc4)noc23)cc1
InChIInChI=1S/C21H20N4O/c1-13-4-8-16(9-5-13)12-22-21-20-19(23-15(3)24-21)18(25-26-20)17-10-6-14(2)7-11-17/h4-11H,12H2,1-3H3,(H,22,23,24)
InChIKeyHSLZMKGYDZUUDY-UHFFFAOYSA-N
XLogP4.82
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53053268
5-ethyl-N-[(4-methylphenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53053276
N-[(4-chlorophenyl)methyl]-5-ethyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53053235
3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53004087
3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53043714
5-ethyl-3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53053291
N-[(4-methylphenyl)methyl]-2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-amine
CID 35572888
N-[(4-chlorophenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53032717
3-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 95064102
N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine
CID 11631224
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-methylphenyl)methyl]aniline
CID 43678196
N-benzyl-8-chloro-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 3749039

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-methyl-3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine (CID 53004098) is 5-methyl-3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine is Cc1ccc(CNc2nc(C)nc3c(-c4ccc(C)cc4)noc23)cc1.
What is the InChIKey of 5-methyl-3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is HSLZMKGYDZUUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-13-4-8-16(9-5-13)12-22-21-20-19(23-15(3)24-21)18(25-26-20)17-10-6-14(2)7-11-17/h4-11H,12H2,1-3H3,(H,22,23,24).
What are the key properties of 5-methyl-3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
5-methyl-3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 344.42 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 53004098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).