2-[(2-chloro-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]propanamide

C9H11ClN4O3S — CID 114268193

IUPAC2-[(2-chloro-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]propanamide
SMILESCC(Nc1nc(Cl)nc2c1S(=O)(=O)CC2)C(N)=O
InChIInChI=1S/C9H11ClN4O3S/c1-4(7(11)15)12-8-6-5(13-9(10)14-8)2-3-18(6,16)17/h4H,2-3H2,1H3,(H2,11,15)(H,12,13,14)
InChIKeySOYICYJEFOPDIK-UHFFFAOYSA-N
MW290.73 g/mol
LogP-0.25
Rot. Bonds3

About 2-[(2-chloro-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]propanamide

2-[(2-chloro-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]propanamide (PubChem CID 114268193) has the molecular formula C9H11ClN4O3S and a molecular weight of 290.73 g/mol. Its IUPAC name is 2-[(2-chloro-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name2-[(2-chloro-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]propanamide
PubChem CID114268193
Molecular FormulaC9H11ClN4O3S
Molecular Weight290.73 g/mol
Exact Mass290.02
IUPAC Name2-[(2-chloro-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]propanamide
SMILESCC(Nc1nc(Cl)nc2c1S(=O)(=O)CC2)C(N)=O
InChIInChI=1S/C9H11ClN4O3S/c1-4(7(11)15)12-8-6-5(13-9(10)14-8)2-3-18(6,16)17/h4H,2-3H2,1H3,(H2,11,15)(H,12,13,14)
InChIKeySOYICYJEFOPDIK-UHFFFAOYSA-N
XLogP-0.25
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]propanamide?
The IUPAC name of 2-[(2-chloro-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]propanamide (CID 114268193) is 2-[(2-chloro-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for 2-[(2-chloro-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for 2-[(2-chloro-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]propanamide is CC(Nc1nc(Cl)nc2c1S(=O)(=O)CC2)C(N)=O.
What is the InChIKey of 2-[(2-chloro-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]propanamide?
The InChIKey is SOYICYJEFOPDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O3S/c1-4(7(11)15)12-8-6-5(13-9(10)14-8)2-3-18(6,16)17/h4H,2-3H2,1H3,(H2,11,15)(H,12,13,14).
What are the key properties of 2-[(2-chloro-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]propanamide?
2-[(2-chloro-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]propanamide has a molecular weight of 290.73 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 114268193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).