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

C17H25N3O2S — CID 53369634

IUPAC2,5-dimethyl-N-(6-methylheptan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc2sc(C(=O)NC(C)CCCC(C)C)c(C)c2c(=O)[nH]1
InChIInChI=1S/C17H25N3O2S/c1-9(2)7-6-8-10(3)18-16(22)14-11(4)13-15(21)19-12(5)20-17(13)23-14/h9-10H,6-8H2,1-5H3,(H,18,22)(H,19,20,21)
InChIKeyRNAQMYMMHVPFBH-UHFFFAOYSA-N
MW335.47 g/mol
LogP3.55
Rot. Bonds6

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

2,5-dimethyl-N-(6-methylheptan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 53369634) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 2,5-dimethyl-N-(6-methylheptan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(6-methylheptan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID53369634
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name2,5-dimethyl-N-(6-methylheptan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc2sc(C(=O)NC(C)CCCC(C)C)c(C)c2c(=O)[nH]1
InChIInChI=1S/C17H25N3O2S/c1-9(2)7-6-8-10(3)18-16(22)14-11(4)13-15(21)19-12(5)20-17(13)23-14/h9-10H,6-8H2,1-5H3,(H,18,22)(H,19,20,21)
InChIKeyRNAQMYMMHVPFBH-UHFFFAOYSA-N
XLogP3.55
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(6-methylheptan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(6-methylheptan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide (CID 53369634) is 2,5-dimethyl-N-(6-methylheptan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(6-methylheptan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(6-methylheptan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc2sc(C(=O)NC(C)CCCC(C)C)c(C)c2c(=O)[nH]1.
What is the InChIKey of 2,5-dimethyl-N-(6-methylheptan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is RNAQMYMMHVPFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-9(2)7-6-8-10(3)18-16(22)14-11(4)13-15(21)19-12(5)20-17(13)23-14/h9-10H,6-8H2,1-5H3,(H,18,22)(H,19,20,21).
What are the key properties of 2,5-dimethyl-N-(6-methylheptan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
2,5-dimethyl-N-(6-methylheptan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(6-methylheptan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 53369634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).