5-methyl-N-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine

C15H16N4O — CID 788271

IUPAC5-methyl-N-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine
SMILESCc1ccc2oc(Nc3nc(C)c(C)c(C)n3)nc2c1
InChIInChI=1S/C15H16N4O/c1-8-5-6-13-12(7-8)18-15(20-13)19-14-16-10(3)9(2)11(4)17-14/h5-7H,1-4H3,(H,16,17,18,19)
InChIKeySTPKWNFZSPUDJN-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.60
Rot. Bonds2

About 5-methyl-N-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine

5-methyl-N-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine (PubChem CID 788271) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-methyl-N-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine
PubChem CID788271
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name5-methyl-N-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine
SMILESCc1ccc2oc(Nc3nc(C)c(C)c(C)n3)nc2c1
InChIInChI=1S/C15H16N4O/c1-8-5-6-13-12(7-8)18-15(20-13)19-14-16-10(3)9(2)11(4)17-14/h5-7H,1-4H3,(H,16,17,18,19)
InChIKeySTPKWNFZSPUDJN-UHFFFAOYSA-N
XLogP3.60
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ontazolast
CID 71458
N-phenyl-1,3-benzoxazol-2-amine
CID 243391
N-Acetyl-N'-(5-methyl-benzooxazol-2-yl)-guanidine
CID 5762132
N-methyl-1,3-benzoxazol-2-amine
CID 590605
2-(1,3-Benzoxazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one
CID 664331
N-(4-Ethylphenyl)-5-methylbenzo[d]oxazol-2-amine
CID 24759786
VU0366058
CID 57328392
PI3Kalpha-IN-9
CID 164886635
N-(4-Ethylphenyl)benzo[d]oxazol-2-amine
CID 39918957
N-(4,6-Dimethyl-2-pyrimidinyl)-2-benzoxazolamine
CID 854816
N-[5-(3-methoxypropyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]-1,3-benzoxazol-2-amine
CID 2003439
N-(2-fluorophenyl)-1,3-benzoxazol-2-amine
CID 1505210

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of 5-methyl-N-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine (CID 788271) is 5-methyl-N-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-methyl-N-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-methyl-N-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine is Cc1ccc2oc(Nc3nc(C)c(C)c(C)n3)nc2c1.
What is the InChIKey of 5-methyl-N-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine?
The InChIKey is STPKWNFZSPUDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-8-5-6-13-12(7-8)18-15(20-13)19-14-16-10(3)9(2)11(4)17-14/h5-7H,1-4H3,(H,16,17,18,19).
What are the key properties of 5-methyl-N-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine?
5-methyl-N-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine has a molecular weight of 268.32 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 788271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).