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

C14H14N4O — CID 788273

IUPACN-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine
SMILESCc1nc(Nc2nc3ccccc3o2)nc(C)c1C
InChIInChI=1S/C14H14N4O/c1-8-9(2)15-13(16-10(8)3)18-14-17-11-6-4-5-7-12(11)19-14/h4-7H,1-3H3,(H,15,16,17,18)
InChIKeyLWSRUOGLFHYIAM-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.29
Rot. Bonds2

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

N-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine (PubChem CID 788273) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine
PubChem CID788273
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine
SMILESCc1nc(Nc2nc3ccccc3o2)nc(C)c1C
InChIInChI=1S/C14H14N4O/c1-8-9(2)15-13(16-10(8)3)18-14-17-11-6-4-5-7-12(11)19-14/h4-7H,1-3H3,(H,15,16,17,18)
InChIKeyLWSRUOGLFHYIAM-UHFFFAOYSA-N
XLogP3.29
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Aminobenzoxazole
CID 20707
1-(1,3-Benzoxazol-2-yl)guanidine
CID 222552
2-(Piperazin-1-yl)-1,3-benzoxazole
CID 647818
N-phenyl-1,3-benzoxazol-2-amine
CID 243391
N-Acetyl-N'-(5-methyl-benzooxazol-2-yl)-guanidine
CID 5762132
Benzoxazole, 2-amino-5-fluoro-
CID 15516
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
5-Chloro-N-(4-ethylphenyl)benzo[d]oxazol-2-amine
CID 49843567
VU0366058
CID 57328392
N-(4-Ethylphenyl)benzo[d]oxazol-2-amine
CID 39918957

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine (CID 788273) is N-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine is Cc1nc(Nc2nc3ccccc3o2)nc(C)c1C.
What is the InChIKey of N-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine?
The InChIKey is LWSRUOGLFHYIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-8-9(2)15-13(16-10(8)3)18-14-17-11-6-4-5-7-12(11)19-14/h4-7H,1-3H3,(H,15,16,17,18).
What are the key properties of N-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine?
N-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine has a molecular weight of 254.29 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 788273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).