5-amino-4-methylidene-2-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-7-yl)-1H-pyrimidine-6-carboxamide

C14H16N4O2S — CID 118543322

IUPAC5-amino-4-methylidene-2-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-7-yl)-1H-pyrimidine-6-carboxamide
SMILESC=C1NC(=O)NC(C(=O)NC2CCCc3ccsc32)=C1N
InChIInChI=1S/C14H16N4O2S/c1-7-10(15)11(18-14(20)16-7)13(19)17-9-4-2-3-8-5-6-21-12(8)9/h5-6,9H,1-4,15H2,(H,17,19)(H2,16,18,20)
InChIKeyFBIKVEPIOOGFQJ-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.24
Rot. Bonds2

About 5-amino-4-methylidene-2-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-7-yl)-1H-pyrimidine-6-carboxamide

5-amino-4-methylidene-2-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-7-yl)-1H-pyrimidine-6-carboxamide (PubChem CID 118543322) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 5-amino-4-methylidene-2-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-7-yl)-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-4-methylidene-2-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-7-yl)-1H-pyrimidine-6-carboxamide
PubChem CID118543322
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name5-amino-4-methylidene-2-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-7-yl)-1H-pyrimidine-6-carboxamide
SMILESC=C1NC(=O)NC(C(=O)NC2CCCc3ccsc32)=C1N
InChIInChI=1S/C14H16N4O2S/c1-7-10(15)11(18-14(20)16-7)13(19)17-9-4-2-3-8-5-6-21-12(8)9/h5-6,9H,1-4,15H2,(H,17,19)(H2,16,18,20)
InChIKeyFBIKVEPIOOGFQJ-UHFFFAOYSA-N
XLogP1.24
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-methylidene-2-oxo-N-[(1S,3R)-3-phenylcyclopentyl]-1H-pyrimidine-6-carboxamide
CID 118543346
5-amino-N-[(1R)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
CID 118543280
(7R)-4,5,6,7-tetrahydro-1-benzothiophen-7-amine
CID 92981428
4-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyrrole-2-carboxamide
CID 62840417
5-amino-N-[4-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
CID 118543324
(7S)-4,5,6,7-tetrahydro-1-benzothiophene-7-carbaldehyde
CID 101484628
5-bromo-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide
CID 118543485
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiophene-2-carboxamide
CID 64593278
3-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 115930522
2-amino-6-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62842162
5-amino-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62840249
3-amino-4-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62841982

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methylidene-2-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-7-yl)-1H-pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-4-methylidene-2-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-7-yl)-1H-pyrimidine-6-carboxamide (CID 118543322) is 5-amino-4-methylidene-2-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-7-yl)-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-4-methylidene-2-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-7-yl)-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-4-methylidene-2-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-7-yl)-1H-pyrimidine-6-carboxamide is C=C1NC(=O)NC(C(=O)NC2CCCc3ccsc32)=C1N.
What is the InChIKey of 5-amino-4-methylidene-2-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-7-yl)-1H-pyrimidine-6-carboxamide?
The InChIKey is FBIKVEPIOOGFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-7-10(15)11(18-14(20)16-7)13(19)17-9-4-2-3-8-5-6-21-12(8)9/h5-6,9H,1-4,15H2,(H,17,19)(H2,16,18,20).
What are the key properties of 5-amino-4-methylidene-2-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-7-yl)-1H-pyrimidine-6-carboxamide?
5-amino-4-methylidene-2-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-7-yl)-1H-pyrimidine-6-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 1.24, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methylidene-2-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-7-yl)-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 118543322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).