2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide

C10H14ClN3O3 — CID 114582419

IUPAC2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cn1cnc(Cl)cc1=O
InChIInChI=1S/C10H14ClN3O3/c1-17-4-2-3-12-9(15)6-14-7-13-8(11)5-10(14)16/h5,7H,2-4,6H2,1H3,(H,12,15)
InChIKeyFOYOWSOKBAHTNS-UHFFFAOYSA-N
MW259.69 g/mol
LogP0.05
Rot. Bonds6

About 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide

2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide (PubChem CID 114582419) has the molecular formula C10H14ClN3O3 and a molecular weight of 259.69 g/mol. Its IUPAC name is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
PubChem CID114582419
Molecular FormulaC10H14ClN3O3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cn1cnc(Cl)cc1=O
InChIInChI=1S/C10H14ClN3O3/c1-17-4-2-3-12-9(15)6-14-7-13-8(11)5-10(14)16/h5,7H,2-4,6H2,1H3,(H,12,15)
InChIKeyFOYOWSOKBAHTNS-UHFFFAOYSA-N
XLogP0.05
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-Methoxypropylamino)ethyl]pyrimidin-4-one
CID 63795432
3-[2-(3-Ethoxypropylamino)ethyl]pyrimidin-4-one
CID 63795612
2-(5-iodo-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 66309914
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 113604190
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)propanamide
CID 113604243
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 113604359
2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 113604472
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 113604483
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 114581612
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide
CID 114581614
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylacetamide
CID 114581674
N-butyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide
CID 114581941

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide (CID 114582419) is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)Cn1cnc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide?
The InChIKey is FOYOWSOKBAHTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3/c1-17-4-2-3-12-9(15)6-14-7-13-8(11)5-10(14)16/h5,7H,2-4,6H2,1H3,(H,12,15).
What are the key properties of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide?
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide has a molecular weight of 259.69 g/mol, XLogP of 0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 114582419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).