N-cyclohexyl-N,2,5-trimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide

C16H21N3O2S — CID 23769614

IUPACN-cyclohexyl-N,2,5-trimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc2sc(C(=O)N(C)C3CCCCC3)c(C)c2c(=O)[nH]1
InChIInChI=1S/C16H21N3O2S/c1-9-12-14(20)17-10(2)18-15(12)22-13(9)16(21)19(3)11-7-5-4-6-8-11/h11H,4-8H2,1-3H3,(H,17,18,20)
InChIKeyLESWXJSTLITOHJ-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.01
Rot. Bonds2

About N-cyclohexyl-N,2,5-trimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide

N-cyclohexyl-N,2,5-trimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 23769614) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-cyclohexyl-N,2,5-trimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N,2,5-trimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID23769614
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-cyclohexyl-N,2,5-trimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc2sc(C(=O)N(C)C3CCCCC3)c(C)c2c(=O)[nH]1
InChIInChI=1S/C16H21N3O2S/c1-9-12-14(20)17-10(2)18-15(12)22-13(9)16(21)19(3)11-7-5-4-6-8-11/h11H,4-8H2,1-3H3,(H,17,18,20)
InChIKeyLESWXJSTLITOHJ-UHFFFAOYSA-N
XLogP3.01
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N,2,5-trimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclohexyl-N,2,5-trimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide (CID 23769614) is N-cyclohexyl-N,2,5-trimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-N,2,5-trimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-N,2,5-trimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc2sc(C(=O)N(C)C3CCCCC3)c(C)c2c(=O)[nH]1.
What is the InChIKey of N-cyclohexyl-N,2,5-trimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is LESWXJSTLITOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-9-12-14(20)17-10(2)18-15(12)22-13(9)16(21)19(3)11-7-5-4-6-8-11/h11H,4-8H2,1-3H3,(H,17,18,20).
What are the key properties of N-cyclohexyl-N,2,5-trimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
N-cyclohexyl-N,2,5-trimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N,2,5-trimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 23769614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).