5,6-dimethyl-4-oxo-N-[(2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide

C17H15N5O4S — CID 25157121

IUPAC5,6-dimethyl-4-oxo-N-[(2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide
SMILESCc1sc2nc(C(=O)NCc3cnc4c(c3)NC(=O)CO4)[nH]c(=O)c2c1C
InChIInChI=1S/C17H15N5O4S/c1-7-8(2)27-17-12(7)14(24)21-13(22-17)15(25)18-4-9-3-10-16(19-5-9)26-6-11(23)20-10/h3,5H,4,6H2,1-2H3,(H,18,25)(H,20,23)(H,21,22,24)
InChIKeyRMUGZFUDWSVKLB-UHFFFAOYSA-N
MW385.41 g/mol
LogP1.26
Rot. Bonds3

About 5,6-dimethyl-4-oxo-N-[(2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide

5,6-dimethyl-4-oxo-N-[(2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide (PubChem CID 25157121) has the molecular formula C17H15N5O4S and a molecular weight of 385.41 g/mol. Its IUPAC name is 5,6-dimethyl-4-oxo-N-[(2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,6-dimethyl-4-oxo-N-[(2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide
PubChem CID25157121
Molecular FormulaC17H15N5O4S
Molecular Weight385.41 g/mol
Exact Mass385.08
IUPAC Name5,6-dimethyl-4-oxo-N-[(2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide
SMILESCc1sc2nc(C(=O)NCc3cnc4c(c3)NC(=O)CO4)[nH]c(=O)c2c1C
InChIInChI=1S/C17H15N5O4S/c1-7-8(2)27-17-12(7)14(24)21-13(22-17)15(25)18-4-9-3-10-16(19-5-9)26-6-11(23)20-10/h3,5H,4,6H2,1-2H3,(H,18,25)(H,20,23)(H,21,22,24)
InChIKeyRMUGZFUDWSVKLB-UHFFFAOYSA-N
XLogP1.26
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5,6-dimethyl-4-oxo-N-[(2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide with MolForge

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Related Compounds

N-[(7,8-difluoro-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59298630
6-[2-(dimethylamino)-2-oxoethyl]-5-methyl-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59298731
5-benzyl-6-methyl-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 25101195
6-(aminomethyl)-4H-1,4-benzoxazin-3-one;5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylic acid;hydrochloride
CID 159552735
ethyl 12-oxo-10-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-3-carboxylate
CID 59379686
6-N-methyl-4-oxo-2-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-2,6-dicarboxamide
CID 59379631
4-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-6-carboxylic acid
CID 59379349
4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5-(4-phenylphenyl)-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59298722
6-benzyl-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59298729
methanamine;4-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-5-carboxylic acid;hydrochloride
CID 160807378
ethane;6-methyl-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2-carboxamide
CID 143679618
1,4-dimethyl-4-[[[12-oxo-10-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 70300404

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-oxo-N-[(2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide?
The IUPAC name of 5,6-dimethyl-4-oxo-N-[(2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide (CID 25157121) is 5,6-dimethyl-4-oxo-N-[(2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,6-dimethyl-4-oxo-N-[(2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide?
The canonical SMILES for 5,6-dimethyl-4-oxo-N-[(2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide is Cc1sc2nc(C(=O)NCc3cnc4c(c3)NC(=O)CO4)[nH]c(=O)c2c1C.
What is the InChIKey of 5,6-dimethyl-4-oxo-N-[(2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide?
The InChIKey is RMUGZFUDWSVKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O4S/c1-7-8(2)27-17-12(7)14(24)21-13(22-17)15(25)18-4-9-3-10-16(19-5-9)26-6-11(23)20-10/h3,5H,4,6H2,1-2H3,(H,18,25)(H,20,23)(H,21,22,24).
What are the key properties of 5,6-dimethyl-4-oxo-N-[(2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide?
5,6-dimethyl-4-oxo-N-[(2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide has a molecular weight of 385.41 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-oxo-N-[(2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl)methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 25157121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).