6-(6-amino-2-methylpyrimidin-4-yl)-4-methyl-1,4-benzoxazin-3-one

C14H14N4O2 — CID 96667520

IUPAC6-(6-amino-2-methylpyrimidin-4-yl)-4-methyl-1,4-benzoxazin-3-one
SMILESCc1nc(N)cc(-c2ccc3c(c2)N(C)C(=O)CO3)n1
InChIInChI=1S/C14H14N4O2/c1-8-16-10(6-13(15)17-8)9-3-4-12-11(5-9)18(2)14(19)7-20-12/h3-6H,7H2,1-2H3,(H2,15,16,17)
InChIKeyFTWAKKDKYRKLAY-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.39
Rot. Bonds1

About 6-(6-amino-2-methylpyrimidin-4-yl)-4-methyl-1,4-benzoxazin-3-one

6-(6-amino-2-methylpyrimidin-4-yl)-4-methyl-1,4-benzoxazin-3-one (PubChem CID 96667520) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 6-(6-amino-2-methylpyrimidin-4-yl)-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(6-amino-2-methylpyrimidin-4-yl)-4-methyl-1,4-benzoxazin-3-one
PubChem CID96667520
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name6-(6-amino-2-methylpyrimidin-4-yl)-4-methyl-1,4-benzoxazin-3-one
SMILESCc1nc(N)cc(-c2ccc3c(c2)N(C)C(=O)CO3)n1
InChIInChI=1S/C14H14N4O2/c1-8-16-10(6-13(15)17-8)9-3-4-12-11(5-9)18(2)14(19)7-20-12/h3-6H,7H2,1-2H3,(H2,15,16,17)
InChIKeyFTWAKKDKYRKLAY-UHFFFAOYSA-N
XLogP1.39
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(6-amino-8-methylimidazo[1,2-a]pyridin-2-yl)-4-methyl-1,4-benzoxazin-3-one
CID 93206340
6-[4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-pyridinyl]-4-methyl-1,4-benzoxazin-3-one
CID 44722665
4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidine-2-carbonitrile
CID 116900870
6-(4-methoxyphenyl)-4-methyl-1,4-benzoxazin-3-one
CID 117001096
3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-5-carbonyl chloride
CID 82371328
6-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-1,4-benzoxazin-3-one
CID 82360077
N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 16876643
6-iodo-4-methyl-1,4-benzoxazin-3-one
CID 15171871
6-(2-hydrazinyl-1H-imidazol-5-yl)-4-methyl-1,4-benzoxazin-3-one
CID 116884146
4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 82492126
N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide
CID 20995344
6-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-4-methyl-1,4-benzoxazin-3-one
CID 46303556

Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-2-methylpyrimidin-4-yl)-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-(6-amino-2-methylpyrimidin-4-yl)-4-methyl-1,4-benzoxazin-3-one (CID 96667520) is 6-(6-amino-2-methylpyrimidin-4-yl)-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(6-amino-2-methylpyrimidin-4-yl)-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(6-amino-2-methylpyrimidin-4-yl)-4-methyl-1,4-benzoxazin-3-one is Cc1nc(N)cc(-c2ccc3c(c2)N(C)C(=O)CO3)n1.
What is the InChIKey of 6-(6-amino-2-methylpyrimidin-4-yl)-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is FTWAKKDKYRKLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-8-16-10(6-13(15)17-8)9-3-4-12-11(5-9)18(2)14(19)7-20-12/h3-6H,7H2,1-2H3,(H2,15,16,17).
What are the key properties of 6-(6-amino-2-methylpyrimidin-4-yl)-4-methyl-1,4-benzoxazin-3-one?
6-(6-amino-2-methylpyrimidin-4-yl)-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 270.29 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-2-methylpyrimidin-4-yl)-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 96667520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).