N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide

C17H17N3O3S — CID 59652158

IUPACN-[(3-methoxyphenyl)methyl]-5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3sc(C)c(C)c3c(=O)[nH]2)c1
InChIInChI=1S/C17H17N3O3S/c1-9-10(2)24-17-13(9)15(21)19-14(20-17)16(22)18-8-11-5-4-6-12(7-11)23-3/h4-7H,8H2,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyUUVXPBWBRGSPKZ-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.54
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide

N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide (PubChem CID 59652158) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
PubChem CID59652158
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-[(3-methoxyphenyl)methyl]-5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3sc(C)c(C)c3c(=O)[nH]2)c1
InChIInChI=1S/C17H17N3O3S/c1-9-10(2)24-17-13(9)15(21)19-14(20-17)16(22)18-8-11-5-4-6-12(7-11)23-3/h4-7H,8H2,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyUUVXPBWBRGSPKZ-UHFFFAOYSA-N
XLogP2.54
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide (CID 59652158) is N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide is COc1cccc(CNC(=O)c2nc3sc(C)c(C)c3c(=O)[nH]2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide?
The InChIKey is UUVXPBWBRGSPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-9-10(2)24-17-13(9)15(21)19-14(20-17)16(22)18-8-11-5-4-6-12(7-11)23-3/h4-7H,8H2,1-3H3,(H,18,22)(H,19,20,21).
What are the key properties of N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 59652158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).