N-(1-hydroxybutan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide

C10H15N3O3 — CID 43428130

IUPACN-(1-hydroxybutan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCCC(CO)NC(=O)Cn1cccnc1=O
InChIInChI=1S/C10H15N3O3/c1-2-8(7-14)12-9(15)6-13-5-3-4-11-10(13)16/h3-5,8,14H,2,6-7H2,1H3,(H,12,15)
InChIKeyHESFZSVXCJFMIQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.87
Rot. Bonds5

About N-(1-hydroxybutan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide

N-(1-hydroxybutan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 43428130) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID43428130
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN-(1-hydroxybutan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCCC(CO)NC(=O)Cn1cccnc1=O
InChIInChI=1S/C10H15N3O3/c1-2-8(7-14)12-9(15)6-13-5-3-4-11-10(13)16/h3-5,8,14H,2,6-7H2,1H3,(H,12,15)
InChIKeyHESFZSVXCJFMIQ-UHFFFAOYSA-N
XLogP-0.87
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 122132565
N-(3,3-difluoro-2-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 103770132
2-(2-oxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 113255795
N-(2,2-difluoro-3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 113462689
2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
CID 60758847
N-(2-methoxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 39877725
3-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43170393
3-Hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43353680
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43355310
3-Hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43357744
N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43428125
N-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43428127

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide (CID 43428130) is N-(1-hydroxybutan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide is CCC(CO)NC(=O)Cn1cccnc1=O.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is HESFZSVXCJFMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-2-8(7-14)12-9(15)6-13-5-3-4-11-10(13)16/h3-5,8,14H,2,6-7H2,1H3,(H,12,15).
What are the key properties of N-(1-hydroxybutan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide?
N-(1-hydroxybutan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 225.25 g/mol, XLogP of -0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 43428130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).