2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide

C9H13ClN4O2 — CID 114582727

IUPAC2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C9H13ClN4O2/c1-3-13(2)6(15)4-14-5-12-8(10)7(11)9(14)16/h5H,3-4,11H2,1-2H3
InChIKeyDSQDABDVDJHEBV-UHFFFAOYSA-N
MW244.68 g/mol
LogP-0.04
Rot. Bonds3

About 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide

2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide (PubChem CID 114582727) has the molecular formula C9H13ClN4O2 and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide
PubChem CID114582727
Molecular FormulaC9H13ClN4O2
Molecular Weight244.68 g/mol
Exact Mass244.07
IUPAC Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C9H13ClN4O2/c1-3-13(2)6(15)4-14-5-12-8(10)7(11)9(14)16/h5H,3-4,11H2,1-2H3
InChIKeyDSQDABDVDJHEBV-UHFFFAOYSA-N
XLogP-0.04
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide
CID 66308123
5-amino-6-chloro-3-dodecylpyrimidin-4-one
CID 114582630
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide
CID 114582836
N-ethyl-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 134063303
5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one
CID 114582544
5-amino-6-chloro-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-one
CID 114582536
5-amino-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one
CID 114582793
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 114582538
5-amino-3-[(4-bromophenyl)methyl]-6-chloropyrimidin-4-one
CID 114582782
3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 114583185
2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide
CID 114582367
2-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-cyanoethyl)-N-methylacetamide
CID 30835547

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide?
The IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide (CID 114582727) is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide is CCN(C)C(=O)Cn1cnc(Cl)c(N)c1=O.
What is the InChIKey of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide?
The InChIKey is DSQDABDVDJHEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O2/c1-3-13(2)6(15)4-14-5-12-8(10)7(11)9(14)16/h5H,3-4,11H2,1-2H3.
What are the key properties of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide?
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide has a molecular weight of 244.68 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide is sourced from PubChem (CID 114582727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).