7-(2-amino-6-methylpyrimidin-4-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one

C14H14N4O2 — CID 96667546

IUPAC7-(2-amino-6-methylpyrimidin-4-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESCc1cc(-c2ccc3c(c2)NC(=O)CCO3)nc(N)n1
InChIInChI=1S/C14H14N4O2/c1-8-6-10(18-14(15)16-8)9-2-3-12-11(7-9)17-13(19)4-5-20-12/h2-3,6-7H,4-5H2,1H3,(H,17,19)(H2,15,16,18)
InChIKeyNTOQSKFPLUTWDS-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.76
Rot. Bonds1

About 7-(2-amino-6-methylpyrimidin-4-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one

7-(2-amino-6-methylpyrimidin-4-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one (PubChem CID 96667546) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 7-(2-amino-6-methylpyrimidin-4-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name7-(2-amino-6-methylpyrimidin-4-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one
PubChem CID96667546
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name7-(2-amino-6-methylpyrimidin-4-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESCc1cc(-c2ccc3c(c2)NC(=O)CCO3)nc(N)n1
InChIInChI=1S/C14H14N4O2/c1-8-6-10(18-14(15)16-8)9-2-3-12-11(7-9)17-13(19)4-5-20-12/h2-3,6-7H,4-5H2,1H3,(H,17,19)(H2,15,16,18)
InChIKeyNTOQSKFPLUTWDS-UHFFFAOYSA-N
XLogP1.76
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-(2-amino-6-methylpyrimidin-4-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one with MolForge

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Related Compounds

7-(4,5-dimethyl-1,3-oxazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 123210187
7-(5-aminothiophen-3-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82484573
7-(5-amino-1,3-thiazol-4-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82485094
7-[3-(aminomethyl)-1,2-oxazol-5-yl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82483858
tert-butyl carbamate;7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 144684663
7-hydroxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82490641
6-(2-amino-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 2061961
4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-amine
CID 62481951
6-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenyl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one
CID 44722490
2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine
CID 104544715
6-(2-bromo-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 116897256
4-(3,4-difluorophenyl)-6-methylpyrimidin-2-amine
CID 39819363

Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-6-methylpyrimidin-4-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The IUPAC name of 7-(2-amino-6-methylpyrimidin-4-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one (CID 96667546) is 7-(2-amino-6-methylpyrimidin-4-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one.
What is the SMILES notation for 7-(2-amino-6-methylpyrimidin-4-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The canonical SMILES for 7-(2-amino-6-methylpyrimidin-4-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one is Cc1cc(-c2ccc3c(c2)NC(=O)CCO3)nc(N)n1.
What is the InChIKey of 7-(2-amino-6-methylpyrimidin-4-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The InChIKey is NTOQSKFPLUTWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-8-6-10(18-14(15)16-8)9-2-3-12-11(7-9)17-13(19)4-5-20-12/h2-3,6-7H,4-5H2,1H3,(H,17,19)(H2,15,16,18).
What are the key properties of 7-(2-amino-6-methylpyrimidin-4-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
7-(2-amino-6-methylpyrimidin-4-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one has a molecular weight of 270.29 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-6-methylpyrimidin-4-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one is sourced from PubChem (CID 96667546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).