2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1-hydroxybutan-2-yl)acetamide

C10H15N3O4 — CID 16815575

IUPAC2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1-hydroxybutan-2-yl)acetamide
SMILESCCC(CO)NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H15N3O4/c1-2-6(5-14)11-8(15)3-7-4-9(16)13-10(17)12-7/h4,6,14H,2-3,5H2,1H3,(H,11,15)(H2,12,13,16,17)
InChIKeyBAHRGVLBVMYCBY-UHFFFAOYSA-N
MW241.25 g/mol
LogP-1.51
Rot. Bonds5

About 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1-hydroxybutan-2-yl)acetamide

2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1-hydroxybutan-2-yl)acetamide (PubChem CID 16815575) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1-hydroxybutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1-hydroxybutan-2-yl)acetamide
PubChem CID16815575
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1-hydroxybutan-2-yl)acetamide
SMILESCCC(CO)NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H15N3O4/c1-2-6(5-14)11-8(15)3-7-4-9(16)13-10(17)12-7/h4,6,14H,2-3,5H2,1H3,(H,11,15)(H2,12,13,16,17)
InChIKeyBAHRGVLBVMYCBY-UHFFFAOYSA-N
XLogP-1.51
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-propylacetamide
CID 2149960
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(2-hydroxypropyl)acetamide
CID 16195692
(E)-N-(1-hydroxypropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide
CID 90673320
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 2149946
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(2-(2-hydroxyethoxy)ethyl)acetamide
CID 2149969
N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)acetamide
CID 2149970
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(2-hydroxyethyl)acetamide
CID 2149963
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 105648453
N-(2,2-difluoroethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)acetamide
CID 107482929
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 107483405
N-(3,3-difluoro-2-hydroxypropyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
CID 114093998
N-(2,2-difluoro-3-hydroxypropyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
CID 114153129

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1-hydroxybutan-2-yl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1-hydroxybutan-2-yl)acetamide (CID 16815575) is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1-hydroxybutan-2-yl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1-hydroxybutan-2-yl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1-hydroxybutan-2-yl)acetamide is CCC(CO)NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1-hydroxybutan-2-yl)acetamide?
The InChIKey is BAHRGVLBVMYCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-2-6(5-14)11-8(15)3-7-4-9(16)13-10(17)12-7/h4,6,14H,2-3,5H2,1H3,(H,11,15)(H2,12,13,16,17).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1-hydroxybutan-2-yl)acetamide?
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1-hydroxybutan-2-yl)acetamide has a molecular weight of 241.25 g/mol, XLogP of -1.51, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1-hydroxybutan-2-yl)acetamide is sourced from PubChem (CID 16815575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).