N-(2-methoxyphenyl)-5-methyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidine-6-carboxamide

C18H17N3O3S — CID 1078302

IUPACN-(2-methoxyphenyl)-5-methyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESC=CCn1cnc2sc(C(=O)Nc3ccccc3OC)c(C)c2c1=O
InChIInChI=1S/C18H17N3O3S/c1-4-9-21-10-19-17-14(18(21)23)11(2)15(25-17)16(22)20-12-7-5-6-8-13(12)24-3/h4-8,10H,1,9H2,2-3H3,(H,20,22)
InChIKeyHZSZICPNADYKCL-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.21
Rot. Bonds5

About N-(2-methoxyphenyl)-5-methyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidine-6-carboxamide

N-(2-methoxyphenyl)-5-methyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 1078302) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-5-methyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-5-methyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID1078302
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-(2-methoxyphenyl)-5-methyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESC=CCn1cnc2sc(C(=O)Nc3ccccc3OC)c(C)c2c1=O
InChIInChI=1S/C18H17N3O3S/c1-4-9-21-10-19-17-14(18(21)23)11(2)15(25-17)16(22)20-12-7-5-6-8-13(12)24-3/h4-8,10H,1,9H2,2-3H3,(H,20,22)
InChIKeyHZSZICPNADYKCL-UHFFFAOYSA-N
XLogP3.21
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-({3-ethyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
CID 6624353
4-[2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl]-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
CID 9872238
4-[2-[4-(5-Chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
CID 22002244
4-[2-[4-(2-Methoxy-5-phenylphenyl)piperazin-1-yl]ethyl]-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
CID 22464806
5-(2-anilino-2-oxoethyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59652239
N-(2-Methoxy-4-{[3-(4-Methylpiperazin-1-Yl)propyl]carbamoyl}phenyl)-4-Oxo-3,4-Dihydrothieno[3,2-D]pyrimidine-7-Carboxamide
CID 135567180
3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propylsulfanyl}-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 9981671
N-(2-ethoxyphenyl)-N,3-dimethyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
CID 16017768
11-Methyl-4-[2-[4-(2-phenoxyphenyl)piperazin-1-yl]ethyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
CID 44405574
11-Methyl-4-[2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]ethyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
CID 44405586
4-[2-[4-[2-(2,2-Dimethylpropoxy)phenyl]piperazin-1-yl]ethyl]-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
CID 44405587
4-[2-[4-(4-Chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
CID 44405677

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-5-methyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-5-methyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidine-6-carboxamide (CID 1078302) is N-(2-methoxyphenyl)-5-methyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-5-methyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-5-methyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidine-6-carboxamide is C=CCn1cnc2sc(C(=O)Nc3ccccc3OC)c(C)c2c1=O.
What is the InChIKey of N-(2-methoxyphenyl)-5-methyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is HZSZICPNADYKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-4-9-21-10-19-17-14(18(21)23)11(2)15(25-17)16(22)20-12-7-5-6-8-13(12)24-3/h4-8,10H,1,9H2,2-3H3,(H,20,22).
What are the key properties of N-(2-methoxyphenyl)-5-methyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidine-6-carboxamide?
N-(2-methoxyphenyl)-5-methyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 355.42 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 N-(2-methoxyphenyl)-5-methyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 1078302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).