3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide

C10H14ClN3O2 — CID 114581887

IUPAC3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
SMILESCc1nc(Cl)cc(=O)n1CCC(=O)N(C)C
InChIInChI=1S/C10H14ClN3O2/c1-7-12-8(11)6-10(16)14(7)5-4-9(15)13(2)3/h6H,4-5H2,1-3H3
InChIKeyMONKJBKZARGTRX-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.68
Rot. Bonds3

About 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide

3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide (PubChem CID 114581887) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
PubChem CID114581887
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
SMILESCc1nc(Cl)cc(=O)n1CCC(=O)N(C)C
InChIInChI=1S/C10H14ClN3O2/c1-7-12-8(11)6-10(16)14(7)5-4-9(15)13(2)3/h6H,4-5H2,1-3H3
InChIKeyMONKJBKZARGTRX-UHFFFAOYSA-N
XLogP0.68
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide?
The IUPAC name of 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide (CID 114581887) is 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide is Cc1nc(Cl)cc(=O)n1CCC(=O)N(C)C.
What is the InChIKey of 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide?
The InChIKey is MONKJBKZARGTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-7-12-8(11)6-10(16)14(7)5-4-9(15)13(2)3/h6H,4-5H2,1-3H3.
What are the key properties of 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide?
3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide has a molecular weight of 243.69 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide is sourced from PubChem (CID 114581887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).