[4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]methanamine

C13H12N4O — CID 116892346

IUPAC[4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]methanamine
SMILESCc1cc(-c2ccc3ncoc3c2)nc(CN)n1
InChIInChI=1S/C13H12N4O/c1-8-4-11(17-13(6-14)16-8)9-2-3-10-12(5-9)18-7-15-10/h2-5,7H,6,14H2,1H3
InChIKeyODONAKKHHFQYID-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.05
Rot. Bonds2

About [4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]methanamine

[4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]methanamine (PubChem CID 116892346) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is [4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]methanamine
PubChem CID116892346
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name[4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]methanamine
SMILESCc1cc(-c2ccc3ncoc3c2)nc(CN)n1
InChIInChI=1S/C13H12N4O/c1-8-4-11(17-13(6-14)16-8)9-2-3-10-12(5-9)18-7-15-10/h2-5,7H,6,14H2,1H3
InChIKeyODONAKKHHFQYID-UHFFFAOYSA-N
XLogP2.05
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892896
3-[4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]propanenitrile
CID 116895128
5-[2-(aminomethyl)-6-methylpyrimidin-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 116892348
4-(1,3-benzoxazol-6-yl)pyrimidin-2-amine
CID 116900490
1,3-benzoxazol-6-ylmethanamine
CID 55219292
[4-methyl-6-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]methanamine
CID 95474508
6-(1,3-benzoxazol-6-yl)-N-ethylpyridazin-3-amine
CID 116973196
N-[[4-(1,3-benzoxazol-6-yl)pyrimidin-2-yl]methyl]cyclopropanamine
CID 116898654
1-N-[6-(1,3-benzoxazol-6-yl)pyridazin-3-yl]propane-1,2-diamine
CID 116970582
2-[4-(3H-benzimidazol-5-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892604
hydrazine;6-methyl-1,3-benzoxazole
CID 174445357
6-phenyl-1,3-benzoxazole
CID 19026755

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]methanamine?
The IUPAC name of [4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]methanamine (CID 116892346) is [4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]methanamine.
What is the SMILES notation for [4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]methanamine?
The canonical SMILES for [4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]methanamine is Cc1cc(-c2ccc3ncoc3c2)nc(CN)n1.
What is the InChIKey of [4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]methanamine?
The InChIKey is ODONAKKHHFQYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-8-4-11(17-13(6-14)16-8)9-2-3-10-12(5-9)18-7-15-10/h2-5,7H,6,14H2,1H3.
What are the key properties of [4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]methanamine?
[4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]methanamine has a molecular weight of 240.27 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]methanamine is sourced from PubChem (CID 116892346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).