N-[5-(3-hydroxypropoxy)pyrimidin-2-yl]acetamide

C9H13N3O3 — CID 145084464

IUPACN-[5-(3-hydroxypropoxy)pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1ncc(OCCCO)cn1
InChIInChI=1S/C9H13N3O3/c1-7(14)12-9-10-5-8(6-11-9)15-4-2-3-13/h5-6,13H,2-4H2,1H3,(H,10,11,12,14)
InChIKeyJKPQLJDLHLTDMP-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.20
Rot. Bonds5

About N-[5-(3-hydroxypropoxy)pyrimidin-2-yl]acetamide

N-[5-(3-hydroxypropoxy)pyrimidin-2-yl]acetamide (PubChem CID 145084464) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-[5-(3-hydroxypropoxy)pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(3-hydroxypropoxy)pyrimidin-2-yl]acetamide
PubChem CID145084464
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-[5-(3-hydroxypropoxy)pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1ncc(OCCCO)cn1
InChIInChI=1S/C9H13N3O3/c1-7(14)12-9-10-5-8(6-11-9)15-4-2-3-13/h5-6,13H,2-4H2,1H3,(H,10,11,12,14)
InChIKeyJKPQLJDLHLTDMP-UHFFFAOYSA-N
XLogP0.20
TPSA84.34 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 ≤ 50.20
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-[5-(3-hydroxypropoxy)-3-pyridinyl]acetamide
CID 145083568
1-[3,5-bis(3-hydroxypropoxy)phenyl]ethanone
CID 118893996
N-[2-(2-methylpyrimidin-5-yl)oxyethyl]acetamide
CID 145197422
3-[[6-[1-(methylamino)ethyl]-3-pyridinyl]oxy]propan-1-ol
CID 83124087
N-(5-propan-2-ylpyrimidin-2-yl)acetamide
CID 58015222
N-[3-(5-hydroxypentoxy)phenyl]acetamide
CID 62229002
2-(2-methylpyrimidin-5-yl)oxyethanol
CID 117230630
N-[7-(2-hydroxyethoxymethyl)purin-2-yl]acetamide
CID 15167685
4-(3-hydroxypropoxy)benzoic acid
CID 13423286
N-[4-fluoro-2-(3-hydroxypropoxy)phenyl]acetamide
CID 174413387
methyl acetate;6-(4-methylphenoxy)hexan-1-ol
CID 144725610
5-(2-methoxyethoxy)-N-propan-2-ylpyrimidin-2-amine
CID 172587797

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-hydroxypropoxy)pyrimidin-2-yl]acetamide?
The IUPAC name of N-[5-(3-hydroxypropoxy)pyrimidin-2-yl]acetamide (CID 145084464) is N-[5-(3-hydroxypropoxy)pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[5-(3-hydroxypropoxy)pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[5-(3-hydroxypropoxy)pyrimidin-2-yl]acetamide is CC(=O)Nc1ncc(OCCCO)cn1.
What is the InChIKey of N-[5-(3-hydroxypropoxy)pyrimidin-2-yl]acetamide?
The InChIKey is JKPQLJDLHLTDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-7(14)12-9-10-5-8(6-11-9)15-4-2-3-13/h5-6,13H,2-4H2,1H3,(H,10,11,12,14).
What are the key properties of N-[5-(3-hydroxypropoxy)pyrimidin-2-yl]acetamide?
N-[5-(3-hydroxypropoxy)pyrimidin-2-yl]acetamide has a molecular weight of 211.22 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-hydroxypropoxy)pyrimidin-2-yl]acetamide is sourced from PubChem (CID 145084464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).