3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylpropanamide

C8H9Cl2N3O2 — CID 114583184

IUPAC3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H9Cl2N3O2/c1-11-5(14)2-3-13-4-12-7(10)6(9)8(13)15/h4H,2-3H2,1H3,(H,11,14)
InChIKeyVQLXVZPYRCGKBX-UHFFFAOYSA-N
MW250.08 g/mol
LogP0.69
Rot. Bonds3

About 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylpropanamide

3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylpropanamide (PubChem CID 114583184) has the molecular formula C8H9Cl2N3O2 and a molecular weight of 250.08 g/mol. Its IUPAC name is 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylpropanamide
PubChem CID114583184
Molecular FormulaC8H9Cl2N3O2
Molecular Weight250.08 g/mol
Exact Mass249.01
IUPAC Name3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H9Cl2N3O2/c1-11-5(14)2-3-13-4-12-7(10)6(9)8(13)15/h4H,2-3H2,1H3,(H,11,14)
InChIKeyVQLXVZPYRCGKBX-UHFFFAOYSA-N
XLogP0.69
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylpropanamide?
The IUPAC name of 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylpropanamide (CID 114583184) is 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylpropanamide.
What is the SMILES notation for 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylpropanamide?
The canonical SMILES for 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylpropanamide is CNC(=O)CCn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylpropanamide?
The InChIKey is VQLXVZPYRCGKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N3O2/c1-11-5(14)2-3-13-4-12-7(10)6(9)8(13)15/h4H,2-3H2,1H3,(H,11,14).
What are the key properties of 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylpropanamide?
3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylpropanamide has a molecular weight of 250.08 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylpropanamide is sourced from PubChem (CID 114583184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).