5-amino-N,N-diethyl-4-methylsulfanyl-2-phenyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide

C18H22N4OS2 — CID 110193640

IUPAC5-amino-N,N-diethyl-4-methylsulfanyl-2-phenyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(CC)C(=O)C1Sc2nc(-c3ccccc3)nc(SC)c2C1N
InChIInChI=1S/C18H22N4OS2/c1-4-22(5-2)18(23)14-13(19)12-16(24-3)20-15(21-17(12)25-14)11-9-7-6-8-10-11/h6-10,13-14H,4-5,19H2,1-3H3
InChIKeyIHQGZPNUVZJEHS-UHFFFAOYSA-N
MW374.54 g/mol
LogP3.21
Rot. Bonds5

About 5-amino-N,N-diethyl-4-methylsulfanyl-2-phenyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide

5-amino-N,N-diethyl-4-methylsulfanyl-2-phenyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 110193640) has the molecular formula C18H22N4OS2 and a molecular weight of 374.54 g/mol. Its IUPAC name is 5-amino-N,N-diethyl-4-methylsulfanyl-2-phenyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N,N-diethyl-4-methylsulfanyl-2-phenyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID110193640
Molecular FormulaC18H22N4OS2
Molecular Weight374.54 g/mol
Exact Mass374.12
IUPAC Name5-amino-N,N-diethyl-4-methylsulfanyl-2-phenyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(CC)C(=O)C1Sc2nc(-c3ccccc3)nc(SC)c2C1N
InChIInChI=1S/C18H22N4OS2/c1-4-22(5-2)18(23)14-13(19)12-16(24-3)20-15(21-17(12)25-14)11-9-7-6-8-10-11/h6-10,13-14H,4-5,19H2,1-3H3
InChIKeyIHQGZPNUVZJEHS-UHFFFAOYSA-N
XLogP3.21
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.54
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-amino-N,N-diethyl-4-methylsulfanyl-2-phenyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

6-methylsulfanyl-5-nitroso-2-phenylpyrimidin-4-amine
CID 134891752
(6S,7S)-6-(4-chlorophenyl)-N,N-diethyl-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
CID 40980988
4-chloro-5-ethyl-6-methylsulfanyl-2-phenylpyrimidine
CID 176849205
methyl (1E)-N-(5-acetyl-6-methylsulfanyl-2-phenylpyrimidin-4-yl)ethanimidate
CID 15184796
N,N-diethyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 42591308
CID 174412487
CID 174412487
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide
CID 3640790
1-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)butan-1-one
CID 828558
ethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate
CID 555559
N,N-diethyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)acetamide
CID 110328872
N,N-diethyl-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689253
N,N-diethyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3401404

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,N-diethyl-4-methylsulfanyl-2-phenyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-N,N-diethyl-4-methylsulfanyl-2-phenyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide (CID 110193640) is 5-amino-N,N-diethyl-4-methylsulfanyl-2-phenyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-N,N-diethyl-4-methylsulfanyl-2-phenyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-N,N-diethyl-4-methylsulfanyl-2-phenyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide is CCN(CC)C(=O)C1Sc2nc(-c3ccccc3)nc(SC)c2C1N.
What is the InChIKey of 5-amino-N,N-diethyl-4-methylsulfanyl-2-phenyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is IHQGZPNUVZJEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS2/c1-4-22(5-2)18(23)14-13(19)12-16(24-3)20-15(21-17(12)25-14)11-9-7-6-8-10-11/h6-10,13-14H,4-5,19H2,1-3H3.
What are the key properties of 5-amino-N,N-diethyl-4-methylsulfanyl-2-phenyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-N,N-diethyl-4-methylsulfanyl-2-phenyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 374.54 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,N-diethyl-4-methylsulfanyl-2-phenyl-5,6-dihydrothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 110193640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).