6,6-dimethyl-8-(6-methyl-2-pyridinyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimido[5,4-b][1,4]oxazin-7-one

C20H26N6O4S — CID 177232929

IUPAC6,6-dimethyl-8-(6-methyl-2-pyridinyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimido[5,4-b][1,4]oxazin-7-one
SMILESCc1cccc(N2C(=O)C(C)(C)Oc3cnc(NC4CCN(S(C)(=O)=O)CC4)nc32)n1
InChIInChI=1S/C20H26N6O4S/c1-13-6-5-7-16(22-13)26-17-15(30-20(2,3)18(26)27)12-21-19(24-17)23-14-8-10-25(11-9-14)31(4,28)29/h5-7,12,14H,8-11H2,1-4H3,(H,21,23,24)
InChIKeyRKXKWQNPLUOAAM-UHFFFAOYSA-N
MW446.53 g/mol
LogP1.85
Rot. Bonds4

About 6,6-dimethyl-8-(6-methyl-2-pyridinyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimido[5,4-b][1,4]oxazin-7-one

6,6-dimethyl-8-(6-methyl-2-pyridinyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimido[5,4-b][1,4]oxazin-7-one (PubChem CID 177232929) has the molecular formula C20H26N6O4S and a molecular weight of 446.53 g/mol. Its IUPAC name is 6,6-dimethyl-8-(6-methyl-2-pyridinyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimido[5,4-b][1,4]oxazin-7-one.

Molecular Properties

Compound Name6,6-dimethyl-8-(6-methyl-2-pyridinyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimido[5,4-b][1,4]oxazin-7-one
PubChem CID177232929
Molecular FormulaC20H26N6O4S
Molecular Weight446.53 g/mol
Exact Mass446.17
IUPAC Name6,6-dimethyl-8-(6-methyl-2-pyridinyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimido[5,4-b][1,4]oxazin-7-one
SMILESCc1cccc(N2C(=O)C(C)(C)Oc3cnc(NC4CCN(S(C)(=O)=O)CC4)nc32)n1
InChIInChI=1S/C20H26N6O4S/c1-13-6-5-7-16(22-13)26-17-15(30-20(2,3)18(26)27)12-21-19(24-17)23-14-8-10-25(11-9-14)31(4,28)29/h5-7,12,14H,8-11H2,1-4H3,(H,21,23,24)
InChIKeyRKXKWQNPLUOAAM-UHFFFAOYSA-N
XLogP1.85
TPSA117.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6,6-dimethyl-8-(6-methyl-2-pyridinyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimido[5,4-b][1,4]oxazin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,6-dimethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-8-[(3S)-1-methylsulfonylpyrrolidin-3-yl]pyrimido[5,4-b][1,4]oxazin-7-one
CID 177232902
8-(1-hydroxy-2-methylpropan-2-yl)-6,6-dimethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimido[5,4-b][1,4]oxazin-7-one
CID 177232970
acetylene;cyclopentanol;6,6-dimethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 177232954
N-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-2-amine
CID 175728686
1-[6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]piperidin-4-ol
CID 170740332
N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 176901310
2-[2-[(1-methylsulfonylpiperidin-4-yl)amino]quinazolin-8-yl]-2-azaspiro[3.3]heptan-6-ol
CID 170739922
N-(1-methylsulfonylpiperidin-4-yl)-8-[(1R,5S)-6-oxa-3-azabicyclo[3.1.1]heptan-3-yl]quinazolin-2-amine
CID 170739896
N-(1-methylsulfonylpiperidin-4-yl)-8-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)quinazolin-2-amine
CID 170740105
8-cyclopentyl-6,6-dimethyl-2-[4-[(methylsulfonimidoyl)amino]anilino]pyrimido[5,4-b][1,4]oxazin-7-one
CID 177232864
8-(4-cyclopropylpiperazin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine
CID 170740243
8-cyclopentyl-6,6-dimethyl-2-(4-methylsulfonylanilino)pyrimido[5,4-b][1,4]oxazin-7-one
CID 177232987

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-8-(6-methyl-2-pyridinyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimido[5,4-b][1,4]oxazin-7-one?
The IUPAC name of 6,6-dimethyl-8-(6-methyl-2-pyridinyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimido[5,4-b][1,4]oxazin-7-one (CID 177232929) is 6,6-dimethyl-8-(6-methyl-2-pyridinyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimido[5,4-b][1,4]oxazin-7-one.
What is the SMILES notation for 6,6-dimethyl-8-(6-methyl-2-pyridinyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimido[5,4-b][1,4]oxazin-7-one?
The canonical SMILES for 6,6-dimethyl-8-(6-methyl-2-pyridinyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimido[5,4-b][1,4]oxazin-7-one is Cc1cccc(N2C(=O)C(C)(C)Oc3cnc(NC4CCN(S(C)(=O)=O)CC4)nc32)n1.
What is the InChIKey of 6,6-dimethyl-8-(6-methyl-2-pyridinyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimido[5,4-b][1,4]oxazin-7-one?
The InChIKey is RKXKWQNPLUOAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O4S/c1-13-6-5-7-16(22-13)26-17-15(30-20(2,3)18(26)27)12-21-19(24-17)23-14-8-10-25(11-9-14)31(4,28)29/h5-7,12,14H,8-11H2,1-4H3,(H,21,23,24).
What are the key properties of 6,6-dimethyl-8-(6-methyl-2-pyridinyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimido[5,4-b][1,4]oxazin-7-one?
6,6-dimethyl-8-(6-methyl-2-pyridinyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimido[5,4-b][1,4]oxazin-7-one has a molecular weight of 446.53 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-8-(6-methyl-2-pyridinyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimido[5,4-b][1,4]oxazin-7-one is sourced from PubChem (CID 177232929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).