2-amino-9-methyl-6,11-dihydropyrimido[4,5-b][1,5]benzodiazepin-5-one

C12H11N5O — CID 132504480

IUPAC2-amino-9-methyl-6,11-dihydropyrimido[4,5-b][1,5]benzodiazepin-5-one
SMILESCc1ccc2c(c1)Nc1nc(N)ncc1C(=O)N2
InChIInChI=1S/C12H11N5O/c1-6-2-3-8-9(4-6)15-10-7(11(18)16-8)5-14-12(13)17-10/h2-5H,1H3,(H,16,18)(H3,13,14,15,17)
InChIKeyUDCXYCHRGAKQAM-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.68
Rot. Bonds

About 2-amino-9-methyl-6,11-dihydropyrimido[4,5-b][1,5]benzodiazepin-5-one

2-amino-9-methyl-6,11-dihydropyrimido[4,5-b][1,5]benzodiazepin-5-one (PubChem CID 132504480) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-amino-9-methyl-6,11-dihydropyrimido[4,5-b][1,5]benzodiazepin-5-one.

Molecular Properties

Compound Name2-amino-9-methyl-6,11-dihydropyrimido[4,5-b][1,5]benzodiazepin-5-one
PubChem CID132504480
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name2-amino-9-methyl-6,11-dihydropyrimido[4,5-b][1,5]benzodiazepin-5-one
SMILESCc1ccc2c(c1)Nc1nc(N)ncc1C(=O)N2
InChIInChI=1S/C12H11N5O/c1-6-2-3-8-9(4-6)15-10-7(11(18)16-8)5-14-12(13)17-10/h2-5H,1H3,(H,16,18)(H3,13,14,15,17)
InChIKeyUDCXYCHRGAKQAM-UHFFFAOYSA-N
XLogP1.68
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-9-methyl-6,11-dihydropyrimido[4,5-b][1,5]benzodiazepin-5-one?
The IUPAC name of 2-amino-9-methyl-6,11-dihydropyrimido[4,5-b][1,5]benzodiazepin-5-one (CID 132504480) is 2-amino-9-methyl-6,11-dihydropyrimido[4,5-b][1,5]benzodiazepin-5-one.
What is the SMILES notation for 2-amino-9-methyl-6,11-dihydropyrimido[4,5-b][1,5]benzodiazepin-5-one?
The canonical SMILES for 2-amino-9-methyl-6,11-dihydropyrimido[4,5-b][1,5]benzodiazepin-5-one is Cc1ccc2c(c1)Nc1nc(N)ncc1C(=O)N2.
What is the InChIKey of 2-amino-9-methyl-6,11-dihydropyrimido[4,5-b][1,5]benzodiazepin-5-one?
The InChIKey is UDCXYCHRGAKQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-6-2-3-8-9(4-6)15-10-7(11(18)16-8)5-14-12(13)17-10/h2-5H,1H3,(H,16,18)(H3,13,14,15,17).
What are the key properties of 2-amino-9-methyl-6,11-dihydropyrimido[4,5-b][1,5]benzodiazepin-5-one?
2-amino-9-methyl-6,11-dihydropyrimido[4,5-b][1,5]benzodiazepin-5-one has a molecular weight of 241.25 g/mol, XLogP of 1.68, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-methyl-6,11-dihydropyrimido[4,5-b][1,5]benzodiazepin-5-one is sourced from PubChem (CID 132504480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).