2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide

C9H13ClN4O3 — CID 114582478

IUPAC2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C9H13ClN4O3/c1-17-3-2-12-6(15)4-14-5-13-8(10)7(11)9(14)16/h5H,2-4,11H2,1H3,(H,12,15)
InChIKeySHXWKQUXASKHJR-UHFFFAOYSA-N
MW260.68 g/mol
LogP-0.76
Rot. Bonds5

About 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide

2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 114582478) has the molecular formula C9H13ClN4O3 and a molecular weight of 260.68 g/mol. Its IUPAC name is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
PubChem CID114582478
Molecular FormulaC9H13ClN4O3
Molecular Weight260.68 g/mol
Exact Mass260.07
IUPAC Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C9H13ClN4O3/c1-17-3-2-12-6(15)4-14-5-13-8(10)7(11)9(14)16/h5H,2-4,11H2,1H3,(H,12,15)
InChIKeySHXWKQUXASKHJR-UHFFFAOYSA-N
XLogP-0.76
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-chloro-4-methyl-5-(methylamino)-6-oxopyrimidin-1-yl]-N-ethylacetamide
CID 60092970
4-amino-5-morpholin-4-yl-1H-pyrimidin-6-one
CID 136393190
2-chloro-4-methanimidoyl-5-(2-methoxyethylamino)-1H-pyrimidin-6-one
CID 154962316
2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 66339777
5-Amino-6-chloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
CID 103182131
5-amino-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241376
5-amino-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241411
5-Amino-6-chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
CID 106455820
5-Amino-6-chloro-3-(2-propoxyethyl)pyrimidin-4-one
CID 106455821
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 113604288
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 113604293
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)propanamide
CID 113604415

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide (CID 114582478) is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cn1cnc(Cl)c(N)c1=O.
What is the InChIKey of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is SHXWKQUXASKHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O3/c1-17-3-2-12-6(15)4-14-5-13-8(10)7(11)9(14)16/h5H,2-4,11H2,1H3,(H,12,15).
What are the key properties of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide?
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 260.68 g/mol, XLogP of -0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 114582478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).