N-cyclohexyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]butanamide

C19H27N3O2S — CID 1453225

IUPACN-cyclohexyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]butanamide
SMILESCCCC(=O)N(Cc1nc2sc(C)c(C)c2c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C19H27N3O2S/c1-4-8-16(23)22(14-9-6-5-7-10-14)11-15-20-18(24)17-12(2)13(3)25-19(17)21-15/h14H,4-11H2,1-3H3,(H,20,21,24)
InChIKeyBRNAHXWXZDXJQM-UHFFFAOYSA-N
MW361.51 g/mol
LogP4.06
Rot. Bonds5

About N-cyclohexyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]butanamide

N-cyclohexyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]butanamide (PubChem CID 1453225) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-cyclohexyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]butanamide
PubChem CID1453225
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC NameN-cyclohexyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]butanamide
SMILESCCCC(=O)N(Cc1nc2sc(C)c(C)c2c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C19H27N3O2S/c1-4-8-16(23)22(14-9-6-5-7-10-14)11-15-20-18(24)17-12(2)13(3)25-19(17)21-15/h14H,4-11H2,1-3H3,(H,20,21,24)
InChIKeyBRNAHXWXZDXJQM-UHFFFAOYSA-N
XLogP4.06
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]butanamide with MolForge

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Related Compounds

N-cyclopentyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]cyclobutanecarboxamide
CID 1453285
N-cyclopentyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-2-ethylbutanamide
CID 1453289
3-cyclohexyl-1-cyclopentyl-1-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]urea
CID 1453278
2-[[cyclohexyl(2-hydroxypropyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 24714824
2-[[azetidin-3-yl(ethyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 66181530
2-(diethylaminomethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2452307
2-[[cyclopropyl(2-hydroxypropyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 24715007
methyl 2-[[cycloheptyl(methyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 16577817
ethyl 2-[[cyclohexyl(2-hydroxybutyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 42839738
propan-2-yl 2-[[cyclohexyl(methyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 42839441
2-[[2-hydroxypropyl(methyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 24714825
2-[(4-hydroxypiperidin-1-yl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 60641650

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]butanamide?
The IUPAC name of N-cyclohexyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]butanamide (CID 1453225) is N-cyclohexyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]butanamide.
What is the SMILES notation for N-cyclohexyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]butanamide?
The canonical SMILES for N-cyclohexyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]butanamide is CCCC(=O)N(Cc1nc2sc(C)c(C)c2c(=O)[nH]1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]butanamide?
The InChIKey is BRNAHXWXZDXJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-4-8-16(23)22(14-9-6-5-7-10-14)11-15-20-18(24)17-12(2)13(3)25-19(17)21-15/h14H,4-11H2,1-3H3,(H,20,21,24).
What are the key properties of N-cyclohexyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]butanamide?
N-cyclohexyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]butanamide has a molecular weight of 361.51 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]butanamide is sourced from PubChem (CID 1453225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).