2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide

C12H18ClN3O2 — CID 114581756

IUPAC2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
SMILESCc1nc(Cl)cc(=O)n1CC(=O)NC(C)C(C)C
InChIInChI=1S/C12H18ClN3O2/c1-7(2)8(3)14-11(17)6-16-9(4)15-10(13)5-12(16)18/h5,7-8H,6H2,1-4H3,(H,14,17)
InChIKeyADUXBBDUNUCBTB-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.37
Rot. Bonds4

About 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 114581756) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
PubChem CID114581756
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
SMILESCc1nc(Cl)cc(=O)n1CC(=O)NC(C)C(C)C
InChIInChI=1S/C12H18ClN3O2/c1-7(2)8(3)14-11(17)6-16-9(4)15-10(13)5-12(16)18/h5,7-8H,6H2,1-4H3,(H,14,17)
InChIKeyADUXBBDUNUCBTB-UHFFFAOYSA-N
XLogP1.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 113604521
2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114585012
2,6-Dimethyl-3-[2-(3-methylbutan-2-ylamino)ethyl]pyrimidin-4-one
CID 63794734
2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 66340688
2,6-Dimethyl-3-[3-methyl-2-(propylamino)butyl]pyrimidin-4-one
CID 80446670
2,6-Dimethyl-3-[3-methyl-2-(methylamino)butyl]pyrimidin-4-one
CID 80446698
3-[2-(Ethylamino)-3-methylbutyl]-2,6-dimethylpyrimidin-4-one
CID 80446747
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 113604157
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
CID 113604166
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide
CID 113604170
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)propanamide
CID 113604171
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(ethylcarbamoyl)propanamide
CID 113604177

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide (CID 114581756) is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide is Cc1nc(Cl)cc(=O)n1CC(=O)NC(C)C(C)C.
What is the InChIKey of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is ADUXBBDUNUCBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-7(2)8(3)14-11(17)6-16-9(4)15-10(13)5-12(16)18/h5,7-8H,6H2,1-4H3,(H,14,17).
What are the key properties of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide?
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 271.75 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 114581756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).