2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide

C10H13Cl2N3O2 — CID 114582926

IUPAC2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H13Cl2N3O2/c1-6(2)14(3)7(16)4-15-5-13-9(12)8(11)10(15)17/h5-6H,4H2,1-3H3
InChIKeyMMDCKVLRTAITKP-UHFFFAOYSA-N
MW278.14 g/mol
LogP1.42
Rot. Bonds3

About 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide

2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide (PubChem CID 114582926) has the molecular formula C10H13Cl2N3O2 and a molecular weight of 278.14 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
PubChem CID114582926
Molecular FormulaC10H13Cl2N3O2
Molecular Weight278.14 g/mol
Exact Mass277.04
IUPAC Name2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H13Cl2N3O2/c1-6(2)14(3)7(16)4-15-5-13-9(12)8(11)10(15)17/h5-6H,4H2,1-3H3
InChIKeyMMDCKVLRTAITKP-UHFFFAOYSA-N
XLogP1.42
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-Dichloro-3-pentan-2-ylpyrimidin-4-one
CID 107885728
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604308
5,6-Dichloro-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604312
N-cyclopropyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylacetamide
CID 113604321
5,6-Dichloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604336
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 113604337
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
CID 113604360
2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604425
2-(4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 114582057
2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 114582063
2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 114582097
2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 114582160

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide (CID 114582926) is 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)Cn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is MMDCKVLRTAITKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O2/c1-6(2)14(3)7(16)4-15-5-13-9(12)8(11)10(15)17/h5-6H,4H2,1-3H3.
What are the key properties of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 278.14 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 114582926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).