3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)propanamide

C14H17N3O4S — CID 18592388

IUPAC3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCn1c(=O)[nH]c2ccsc2c1=O)NCC1CCCO1
InChIInChI=1S/C14H17N3O4S/c18-11(15-8-9-2-1-6-21-9)3-5-17-13(19)12-10(4-7-22-12)16-14(17)20/h4,7,9H,1-3,5-6,8H2,(H,15,18)(H,16,20)
InChIKeyXIFMJENCROMRBW-UHFFFAOYSA-N
MW323.37 g/mol
LogP0.44
Rot. Bonds5

About 3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)propanamide

3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 18592388) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID18592388
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCn1c(=O)[nH]c2ccsc2c1=O)NCC1CCCO1
InChIInChI=1S/C14H17N3O4S/c18-11(15-8-9-2-1-6-21-9)3-5-17-13(19)12-10(4-7-22-12)16-14(17)20/h4,7,9H,1-3,5-6,8H2,(H,15,18)(H,16,20)
InChIKeyXIFMJENCROMRBW-UHFFFAOYSA-N
XLogP0.44
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dimethylcyclohexyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide
CID 4583346
4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(oxolan-2-ylmethyl)butanamide
CID 3686336
3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 3575140
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 3830051
4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(2-methoxyethyl)butanamide
CID 15987974
N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide
CID 93174433
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 6486383
5-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]pentanamide
CID 2135221
N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-yl)propanamide
CID 90013649
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 8713475
4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4-thiophen-2-ylbutanamide
CID 2530381
3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 109015843

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)propanamide (CID 18592388) is 3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)propanamide is O=C(CCn1c(=O)[nH]c2ccsc2c1=O)NCC1CCCO1.
What is the InChIKey of 3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is XIFMJENCROMRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c18-11(15-8-9-2-1-6-21-9)3-5-17-13(19)12-10(4-7-22-12)16-14(17)20/h4,7,9H,1-3,5-6,8H2,(H,15,18)(H,16,20).
What are the key properties of 3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)propanamide?
3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 323.37 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 18592388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).