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

C13H12N4O — CID 116900562

IUPACN-methyl-4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-amine
SMILESCNc1nccc(-c2ccc3oc(C)nc3c2)n1
InChIInChI=1S/C13H12N4O/c1-8-16-11-7-9(3-4-12(11)18-8)10-5-6-15-13(14-2)17-10/h3-7H,1-2H3,(H,14,15,17)
InChIKeyLJJJLQXFBHQAAT-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.63
Rot. Bonds2

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

N-methyl-4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-amine (PubChem CID 116900562) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-methyl-4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-amine
PubChem CID116900562
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC NameN-methyl-4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-amine
SMILESCNc1nccc(-c2ccc3oc(C)nc3c2)n1
InChIInChI=1S/C13H12N4O/c1-8-16-11-7-9(3-4-12(11)18-8)10-5-6-15-13(14-2)17-10/h3-7H,1-2H3,(H,14,15,17)
InChIKeyLJJJLQXFBHQAAT-UHFFFAOYSA-N
XLogP2.63
TPSA63.84 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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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VU0366058
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N-(2-Methoxyphenyl)-2-(1,3-Oxazol-5-Yl)-1h-Pyrrolo[3,2-C]pyridin-6-Amine
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4-(2-(4-ethylphenylamino)benzo[d]oxazol-5-yloxy)-N-methylpicolinamide
CID 22040436
5-(1-Propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
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4-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
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2-(1,3-Benzoxazol-2-ylamino)-4-phenyl-5-pyrimidinecarbonitrile
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Pyrimidine-4-carboxamide, 91
CID 44520971

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-amine?
The IUPAC name of N-methyl-4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-amine (CID 116900562) is N-methyl-4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-amine is CNc1nccc(-c2ccc3oc(C)nc3c2)n1.
What is the InChIKey of N-methyl-4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-amine?
The InChIKey is LJJJLQXFBHQAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-8-16-11-7-9(3-4-12(11)18-8)10-5-6-15-13(14-2)17-10/h3-7H,1-2H3,(H,14,15,17).
What are the key properties of N-methyl-4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-amine?
N-methyl-4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-amine has a molecular weight of 240.27 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 116900562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).