N-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide

C9H13N3O3 — CID 43428127

IUPACN-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)NCCCO
InChIInChI=1S/C9H13N3O3/c13-6-2-4-10-8(14)7-12-5-1-3-11-9(12)15/h1,3,5,13H,2,4,6-7H2,(H,10,14)
InChIKeyICLYXAQSGFZMQC-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.26
Rot. Bonds5

About N-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide

N-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 43428127) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID43428127
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)NCCCO
InChIInChI=1S/C9H13N3O3/c13-6-2-4-10-8(14)7-12-5-1-3-11-9(12)15/h1,3,5,13H,2,4,6-7H2,(H,10,14)
InChIKeyICLYXAQSGFZMQC-UHFFFAOYSA-N
XLogP-1.26
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-Hydroxypropyl)-2-(4-imino-2-oxo-3,4-dihydro-1(2H)-pyrimidinyl)acetamide
CID 379361
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
N-butyl-2-(2-oxopyrimidin-1-yl)acetamide
CID 39889719
N-(3-methoxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 39891646
3-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43354788
N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43428125
N-(1-hydroxybutan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43428130
N-(2-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43428137
N-(1-hydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43428142
N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43500919

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide (CID 43428127) is N-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide is O=C(Cn1cccnc1=O)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is ICLYXAQSGFZMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c13-6-2-4-10-8(14)7-12-5-1-3-11-9(12)15/h1,3,5,13H,2,4,6-7H2,(H,10,14).
What are the key properties of N-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide?
N-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 211.22 g/mol, XLogP of -1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 43428127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).