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

C19H27N3O2S — CID 3213325

IUPACN-cyclopentyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]pentanamide
SMILESCCCCC(=O)N(Cc1nc2sc(C)c(C)c2c(=O)[nH]1)C1CCCC1
InChIInChI=1S/C19H27N3O2S/c1-4-5-10-16(23)22(14-8-6-7-9-14)11-15-20-18(24)17-12(2)13(3)25-19(17)21-15/h14H,4-11H2,1-3H3,(H,20,21,24)
InChIKeyRTHZBOCTNRVGHU-UHFFFAOYSA-N
MW361.51 g/mol
LogP4.06
Rot. Bonds6

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

N-cyclopentyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]pentanamide (PubChem CID 3213325) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-cyclopentyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]pentanamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]pentanamide
PubChem CID3213325
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC NameN-cyclopentyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]pentanamide
SMILESCCCCC(=O)N(Cc1nc2sc(C)c(C)c2c(=O)[nH]1)C1CCCC1
InChIInChI=1S/C19H27N3O2S/c1-4-5-10-16(23)22(14-8-6-7-9-14)11-15-20-18(24)17-12(2)13(3)25-19(17)21-15/h14H,4-11H2,1-3H3,(H,20,21,24)
InChIKeyRTHZBOCTNRVGHU-UHFFFAOYSA-N
XLogP4.06
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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-cyclopentyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]pentanamide?
The IUPAC name of N-cyclopentyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]pentanamide (CID 3213325) is N-cyclopentyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]pentanamide.
What is the SMILES notation for N-cyclopentyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]pentanamide?
The canonical SMILES for N-cyclopentyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]pentanamide is CCCCC(=O)N(Cc1nc2sc(C)c(C)c2c(=O)[nH]1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]pentanamide?
The InChIKey is RTHZBOCTNRVGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-4-5-10-16(23)22(14-8-6-7-9-14)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-cyclopentyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]pentanamide?
N-cyclopentyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]pentanamide has a molecular weight of 361.51 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]pentanamide is sourced from PubChem (CID 3213325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).