2-[1-[3-(dimethylamino)propyl]-4-oxopyrimidin-2-yl]sulfanylacetic acid

C11H17N3O3S — CID 62402584

IUPAC2-[1-[3-(dimethylamino)propyl]-4-oxopyrimidin-2-yl]sulfanylacetic acid
SMILESCN(C)CCCn1ccc(=O)nc1SCC(=O)O
InChIInChI=1S/C11H17N3O3S/c1-13(2)5-3-6-14-7-4-9(15)12-11(14)18-8-10(16)17/h4,7H,3,5-6,8H2,1-2H3,(H,16,17)
InChIKeyUGZRCHLMHAIKSC-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.37
Rot. Bonds7

About 2-[1-[3-(dimethylamino)propyl]-4-oxopyrimidin-2-yl]sulfanylacetic acid

2-[1-[3-(dimethylamino)propyl]-4-oxopyrimidin-2-yl]sulfanylacetic acid (PubChem CID 62402584) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[1-[3-(dimethylamino)propyl]-4-oxopyrimidin-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-[3-(dimethylamino)propyl]-4-oxopyrimidin-2-yl]sulfanylacetic acid
PubChem CID62402584
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-[1-[3-(dimethylamino)propyl]-4-oxopyrimidin-2-yl]sulfanylacetic acid
SMILESCN(C)CCCn1ccc(=O)nc1SCC(=O)O
InChIInChI=1S/C11H17N3O3S/c1-13(2)5-3-6-14-7-4-9(15)12-11(14)18-8-10(16)17/h4,7H,3,5-6,8H2,1-2H3,(H,16,17)
InChIKeyUGZRCHLMHAIKSC-UHFFFAOYSA-N
XLogP0.37
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(dimethylamino)propyl]-4-oxopyrimidin-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-[3-(dimethylamino)propyl]-4-oxopyrimidin-2-yl]sulfanylacetic acid (CID 62402584) is 2-[1-[3-(dimethylamino)propyl]-4-oxopyrimidin-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-[3-(dimethylamino)propyl]-4-oxopyrimidin-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-[3-(dimethylamino)propyl]-4-oxopyrimidin-2-yl]sulfanylacetic acid is CN(C)CCCn1ccc(=O)nc1SCC(=O)O.
What is the InChIKey of 2-[1-[3-(dimethylamino)propyl]-4-oxopyrimidin-2-yl]sulfanylacetic acid?
The InChIKey is UGZRCHLMHAIKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-13(2)5-3-6-14-7-4-9(15)12-11(14)18-8-10(16)17/h4,7H,3,5-6,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-[3-(dimethylamino)propyl]-4-oxopyrimidin-2-yl]sulfanylacetic acid?
2-[1-[3-(dimethylamino)propyl]-4-oxopyrimidin-2-yl]sulfanylacetic acid has a molecular weight of 271.34 g/mol, XLogP of 0.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(dimethylamino)propyl]-4-oxopyrimidin-2-yl]sulfanylacetic acid is sourced from PubChem (CID 62402584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).