3-(4,6-dichloropyrimidin-5-yl)-2,3-dihydroxypropanamide

C7H7Cl2N3O3 — CID 171869611

IUPAC3-(4,6-dichloropyrimidin-5-yl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1c(Cl)ncnc1Cl
InChIInChI=1S/C7H7Cl2N3O3/c8-5-2(6(9)12-1-11-5)3(13)4(14)7(10)15/h1,3-4,13-14H,(H2,10,15)
InChIKeyFUBCTOBNOMNQNQ-UHFFFAOYSA-N
MW252.06 g/mol
LogP-0.34
Rot. Bonds3

About 3-(4,6-dichloropyrimidin-5-yl)-2,3-dihydroxypropanamide

3-(4,6-dichloropyrimidin-5-yl)-2,3-dihydroxypropanamide (PubChem CID 171869611) has the molecular formula C7H7Cl2N3O3 and a molecular weight of 252.06 g/mol. Its IUPAC name is 3-(4,6-dichloropyrimidin-5-yl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(4,6-dichloropyrimidin-5-yl)-2,3-dihydroxypropanamide
PubChem CID171869611
Molecular FormulaC7H7Cl2N3O3
Molecular Weight252.06 g/mol
Exact Mass250.99
IUPAC Name3-(4,6-dichloropyrimidin-5-yl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1c(Cl)ncnc1Cl
InChIInChI=1S/C7H7Cl2N3O3/c8-5-2(6(9)12-1-11-5)3(13)4(14)7(10)15/h1,3-4,13-14H,(H2,10,15)
InChIKeyFUBCTOBNOMNQNQ-UHFFFAOYSA-N
XLogP-0.34
TPSA109.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.06
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dichloropyrimidin-5-yl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(4,6-dichloropyrimidin-5-yl)-2,3-dihydroxypropanamide (CID 171869611) is 3-(4,6-dichloropyrimidin-5-yl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(4,6-dichloropyrimidin-5-yl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(4,6-dichloropyrimidin-5-yl)-2,3-dihydroxypropanamide is NC(=O)C(O)C(O)c1c(Cl)ncnc1Cl.
What is the InChIKey of 3-(4,6-dichloropyrimidin-5-yl)-2,3-dihydroxypropanamide?
The InChIKey is FUBCTOBNOMNQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N3O3/c8-5-2(6(9)12-1-11-5)3(13)4(14)7(10)15/h1,3-4,13-14H,(H2,10,15).
What are the key properties of 3-(4,6-dichloropyrimidin-5-yl)-2,3-dihydroxypropanamide?
3-(4,6-dichloropyrimidin-5-yl)-2,3-dihydroxypropanamide has a molecular weight of 252.06 g/mol, XLogP of -0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dichloropyrimidin-5-yl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171869611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).