(6R)-6,11-dimethyl-5,6-dihydro-3H-pyrimido[4,5-b][1]benzazepin-4-one

C14H15N3O — CID 139062251

IUPAC(6R)-6,11-dimethyl-5,6-dihydro-3H-pyrimido[4,5-b][1]benzazepin-4-one
SMILESC[C@@H]1Cc2c(nc[nH]c2=O)N(C)c2ccccc21
InChIInChI=1S/C14H15N3O/c1-9-7-11-13(15-8-16-14(11)18)17(2)12-6-4-3-5-10(9)12/h3-6,8-9H,7H2,1-2H3,(H,15,16,18)/t9-/m1/s1
InChIKeyULAWCVFRABVYDI-SECBINFHSA-N
MW241.29 g/mol
LogP2.20
Rot. Bonds

About (6R)-6,11-dimethyl-5,6-dihydro-3H-pyrimido[4,5-b][1]benzazepin-4-one

(6R)-6,11-dimethyl-5,6-dihydro-3H-pyrimido[4,5-b][1]benzazepin-4-one (PubChem CID 139062251) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is (6R)-6,11-dimethyl-5,6-dihydro-3H-pyrimido[4,5-b][1]benzazepin-4-one.

Molecular Properties

Compound Name(6R)-6,11-dimethyl-5,6-dihydro-3H-pyrimido[4,5-b][1]benzazepin-4-one
PubChem CID139062251
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name(6R)-6,11-dimethyl-5,6-dihydro-3H-pyrimido[4,5-b][1]benzazepin-4-one
SMILESC[C@@H]1Cc2c(nc[nH]c2=O)N(C)c2ccccc21
InChIInChI=1S/C14H15N3O/c1-9-7-11-13(15-8-16-14(11)18)17(2)12-6-4-3-5-10(9)12/h3-6,8-9H,7H2,1-2H3,(H,15,16,18)/t9-/m1/s1
InChIKeyULAWCVFRABVYDI-SECBINFHSA-N
XLogP2.20
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6R)-6,11-dimethyl-5,6-dihydro-3H-pyrimido[4,5-b][1]benzazepin-4-one with MolForge

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Related Compounds

5,10-Dihydro-3H-pyrimido[4,5-b]quinolin-4-one
CID 135692621
2-Amino-5-ethyl-6-(o-tolylamino)pyrimidin-4(1H)-one
CID 135408562
5-(1-Methyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrimidin-4-ol
CID 3073830
3-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-N,N-dimethylpropanamide
CID 283857
3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-N,N-diethylpropanamide
CID 284233
2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N,N-dimethylacetamide
CID 284237
10-Ethyl-5,10-dihydro-3H-pyrimido[4,5-b]quinolin-4-one
CID 136023327
2-Amino-1-methylquinazolin-4(1H)-one
CID 13111346
4-(5-fluoro-2-methylanilino)-5-iodo-1H-pyrimidin-6-one
CID 136970628
4-(4-fluoro-2-methylanilino)-5-iodo-1H-pyrimidin-6-one
CID 136970640
4-(3-fluoro-2-methylanilino)-5-iodo-1H-pyrimidin-6-one
CID 136971147
6,11-dimethyl-5,6-dihydro-3H-pyrimido[4,5-b][1]benzazepin-4-one
CID 155808832

Frequently Asked Questions

What is the IUPAC name of (6R)-6,11-dimethyl-5,6-dihydro-3H-pyrimido[4,5-b][1]benzazepin-4-one?
The IUPAC name of (6R)-6,11-dimethyl-5,6-dihydro-3H-pyrimido[4,5-b][1]benzazepin-4-one (CID 139062251) is (6R)-6,11-dimethyl-5,6-dihydro-3H-pyrimido[4,5-b][1]benzazepin-4-one.
What is the SMILES notation for (6R)-6,11-dimethyl-5,6-dihydro-3H-pyrimido[4,5-b][1]benzazepin-4-one?
The canonical SMILES for (6R)-6,11-dimethyl-5,6-dihydro-3H-pyrimido[4,5-b][1]benzazepin-4-one is C[C@@H]1Cc2c(nc[nH]c2=O)N(C)c2ccccc21.
What is the InChIKey of (6R)-6,11-dimethyl-5,6-dihydro-3H-pyrimido[4,5-b][1]benzazepin-4-one?
The InChIKey is ULAWCVFRABVYDI-SECBINFHSA-N. The full InChI is InChI=1S/C14H15N3O/c1-9-7-11-13(15-8-16-14(11)18)17(2)12-6-4-3-5-10(9)12/h3-6,8-9H,7H2,1-2H3,(H,15,16,18)/t9-/m1/s1.
What are the key properties of (6R)-6,11-dimethyl-5,6-dihydro-3H-pyrimido[4,5-b][1]benzazepin-4-one?
(6R)-6,11-dimethyl-5,6-dihydro-3H-pyrimido[4,5-b][1]benzazepin-4-one has a molecular weight of 241.29 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6,11-dimethyl-5,6-dihydro-3H-pyrimido[4,5-b][1]benzazepin-4-one is sourced from PubChem (CID 139062251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).