N-(1,3-dihydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide

C9H13N3O4 — CID 65315607

IUPACN-(1,3-dihydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)NC(CO)CO
InChIInChI=1S/C9H13N3O4/c13-5-7(6-14)11-8(15)4-12-3-1-2-10-9(12)16/h1-3,7,13-14H,4-6H2,(H,11,15)
InChIKeyZSHQDHPATGYBMI-UHFFFAOYSA-N
MW227.22 g/mol
LogP-2.29
Rot. Bonds5

About N-(1,3-dihydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide

N-(1,3-dihydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 65315607) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID65315607
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)NC(CO)CO
InChIInChI=1S/C9H13N3O4/c13-5-7(6-14)11-8(15)4-12-3-1-2-10-9(12)16/h1-3,7,13-14H,4-6H2,(H,11,15)
InChIKeyZSHQDHPATGYBMI-UHFFFAOYSA-N
XLogP-2.29
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-2.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide (CID 65315607) is N-(1,3-dihydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide is O=C(Cn1cccnc1=O)NC(CO)CO.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is ZSHQDHPATGYBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c13-5-7(6-14)11-8(15)4-12-3-1-2-10-9(12)16/h1-3,7,13-14H,4-6H2,(H,11,15).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide?
N-(1,3-dihydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 227.22 g/mol, XLogP of -2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 65315607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).