3-(4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide

C8H10ClN3O2 — CID 114582325

IUPAC3-(4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCn1cnc(Cl)cc1=O
InChIInChI=1S/C8H10ClN3O2/c1-10-7(13)2-3-12-5-11-6(9)4-8(12)14/h4-5H,2-3H2,1H3,(H,10,13)
InChIKeyWLFFYHVWIAGSNS-UHFFFAOYSA-N
MW215.64 g/mol
LogP0.03
Rot. Bonds3

About 3-(4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide

3-(4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide (PubChem CID 114582325) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is 3-(4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide
PubChem CID114582325
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Name3-(4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCn1cnc(Cl)cc1=O
InChIInChI=1S/C8H10ClN3O2/c1-10-7(13)2-3-12-5-11-6(9)4-8(12)14/h4-5H,2-3H2,1H3,(H,10,13)
InChIKeyWLFFYHVWIAGSNS-UHFFFAOYSA-N
XLogP0.03
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(Ethylamino)propyl]pyrimidin-4-one
CID 63767956
3-[3-(Methylamino)propyl]pyrimidin-4-one
CID 63768831
3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 113604535
3-(4-Chloro-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide
CID 114581597
3-(4-Chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide
CID 114581667
3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
CID 114581780
4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide
CID 114581852
3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide
CID 114581885
3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 114581887
3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114581936
3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 114581990
3-(4-Chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide
CID 114582025

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide?
The IUPAC name of 3-(4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide (CID 114582325) is 3-(4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide.
What is the SMILES notation for 3-(4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide?
The canonical SMILES for 3-(4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide is CNC(=O)CCn1cnc(Cl)cc1=O.
What is the InChIKey of 3-(4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide?
The InChIKey is WLFFYHVWIAGSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c1-10-7(13)2-3-12-5-11-6(9)4-8(12)14/h4-5H,2-3H2,1H3,(H,10,13).
What are the key properties of 3-(4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide?
3-(4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide has a molecular weight of 215.64 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide is sourced from PubChem (CID 114582325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).