2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidine-5-carboxamide

C19H16N4O4S — CID 47021211

IUPAC2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidine-5-carboxamide
SMILESCSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C19H16N4O4S/c1-10-16(19(28-2)23-17(20-10)14-4-3-7-26-14)18(25)21-11-5-6-13-12(8-11)22-15(24)9-27-13/h3-8H,9H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyNHEUQQOXNPPJMA-UHFFFAOYSA-N
MW396.43 g/mol
LogP3.35
Rot. Bonds4

About 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidine-5-carboxamide

2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidine-5-carboxamide (PubChem CID 47021211) has the molecular formula C19H16N4O4S and a molecular weight of 396.43 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidine-5-carboxamide
PubChem CID47021211
Molecular FormulaC19H16N4O4S
Molecular Weight396.43 g/mol
Exact Mass396.09
IUPAC Name2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidine-5-carboxamide
SMILESCSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C19H16N4O4S/c1-10-16(19(28-2)23-17(20-10)14-4-3-7-26-14)18(25)21-11-5-6-13-12(8-11)22-15(24)9-27-13/h3-8H,9H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyNHEUQQOXNPPJMA-UHFFFAOYSA-N
XLogP3.35
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 55530701
2-(furan-2-yl)-4-methyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-6-methylsulfanylpyrimidine-5-carboxamide
CID 78844948
5-(furan-2-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 24666517
2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[3-(2-oxopiperidin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 112819960
3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide
CID 31020779
4-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 51207749
N-[4-(dimethylamino)-2-methylphenyl]-2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 55779899
2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indole-3-carboxamide
CID 24515939
2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide
CID 56530071
N-[4-(furan-2-carbonylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 55504919
5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 35528644
N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 51153474

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidine-5-carboxamide (CID 47021211) is 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidine-5-carboxamide is CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidine-5-carboxamide?
The InChIKey is NHEUQQOXNPPJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4S/c1-10-16(19(28-2)23-17(20-10)14-4-3-7-26-14)18(25)21-11-5-6-13-12(8-11)22-15(24)9-27-13/h3-8H,9H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidine-5-carboxamide?
2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidine-5-carboxamide has a molecular weight of 396.43 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 47021211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).