N-(1,3-dihydroxypropan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide

C9H13N3O5 — CID 65315164

IUPACN-(1,3-dihydroxypropan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NC(CO)CO
InChIInChI=1S/C9H13N3O5/c13-4-6(5-14)10-8(16)3-12-2-1-7(15)11-9(12)17/h1-2,6,13-14H,3-5H2,(H,10,16)(H,11,15,17)
InChIKeyKHISOKIJYFUFCB-UHFFFAOYSA-N
MW243.22 g/mol
LogP-2.99
Rot. Bonds5

About N-(1,3-dihydroxypropan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide

N-(1,3-dihydroxypropan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 65315164) has the molecular formula C9H13N3O5 and a molecular weight of 243.22 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID65315164
Molecular FormulaC9H13N3O5
Molecular Weight243.22 g/mol
Exact Mass243.09
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NC(CO)CO
InChIInChI=1S/C9H13N3O5/c13-4-6(5-14)10-8(16)3-12-2-1-7(15)11-9(12)17/h1-2,6,13-14H,3-5H2,(H,10,16)(H,11,15,17)
InChIKeyKHISOKIJYFUFCB-UHFFFAOYSA-N
XLogP-2.99
TPSA124.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-2.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-(1,3-dihydroxypropan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[Bis(2-hydroxyethyl)amino]pyrimidine-2,4(1h,3h)-dione
CID 241440
2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(2-hydroxyethyl)acetamide
CID 2064469
Acetamide, 2-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-N-(2-hydroxyethyl)-
CID 3150928
2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)acetic acid
CID 16037827
1H-Pyrimidine-2,4-dione, 5-(2-hydroxy-1,1-dimethylethylamino)-
CID 1511303
5-[(2-hydroxyethyl)(methyl)amino]pyrimidine-2,4(1H,3H)-dione
CID 7373407
Pyrimidine-2,4(1H,3H)-dione, 1-[1-(hydroxymethyl)-2-hydroxyethyl]-
CID 574509
5-((2-hydroxyethyl)amino)pyrimidine-2,4(1H,3H)-dione
CID 236131
2,6-Dihydroxy-N,N-bis(2-hydroxyethyl)pyrimidine-4-carboxamide
CID 241842
5-[(2-Fluoroethyl)(2-hydroxyethyl)amino]pyrimidine-2,4(1h,3h)-dione
CID 269002
2-(2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726405
N-(3,3-difluoro-2-hydroxypropyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 103770241

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide (CID 65315164) is N-(1,3-dihydroxypropan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide is O=C(Cn1ccc(=O)[nH]c1=O)NC(CO)CO.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is KHISOKIJYFUFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5/c13-4-6(5-14)10-8(16)3-12-2-1-7(15)11-9(12)17/h1-2,6,13-14H,3-5H2,(H,10,16)(H,11,15,17).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide?
N-(1,3-dihydroxypropan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 243.22 g/mol, XLogP of -2.99, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 65315164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).