N-(1,3-dihydroxypropan-2-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C10H15N3O5 — CID 139775780

IUPACN-(1,3-dihydroxypropan-2-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCc1cn(CC(=O)NC(CO)CO)c(=O)[nH]c1=O
InChIInChI=1S/C10H15N3O5/c1-6-2-13(10(18)12-9(6)17)3-8(16)11-7(4-14)5-15/h2,7,14-15H,3-5H2,1H3,(H,11,16)(H,12,17,18)
InChIKeyMFRDZLGHMWCPDX-UHFFFAOYSA-N
MW257.25 g/mol
LogP-2.69
Rot. Bonds5

About N-(1,3-dihydroxypropan-2-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

N-(1,3-dihydroxypropan-2-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 139775780) has the molecular formula C10H15N3O5 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID139775780
Molecular FormulaC10H15N3O5
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCc1cn(CC(=O)NC(CO)CO)c(=O)[nH]c1=O
InChIInChI=1S/C10H15N3O5/c1-6-2-13(10(18)12-9(6)17)3-8(16)11-7(4-14)5-15/h2,7,14-15H,3-5H2,1H3,(H,11,16)(H,12,17,18)
InChIKeyMFRDZLGHMWCPDX-UHFFFAOYSA-N
XLogP-2.69
TPSA124.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-2.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 139775780) is N-(1,3-dihydroxypropan-2-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is Cc1cn(CC(=O)NC(CO)CO)c(=O)[nH]c1=O.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is MFRDZLGHMWCPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5/c1-6-2-13(10(18)12-9(6)17)3-8(16)11-7(4-14)5-15/h2,7,14-15H,3-5H2,1H3,(H,11,16)(H,12,17,18).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-(1,3-dihydroxypropan-2-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 257.25 g/mol, XLogP of -2.69, 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-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 139775780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).