2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide

C14H22ClN3O2 — CID 114584920

IUPAC2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)c1nc(Cl)cc(=O)n1CC(=O)NC(C)C(C)C
InChIInChI=1S/C14H22ClN3O2/c1-8(2)10(5)16-12(19)7-18-13(20)6-11(15)17-14(18)9(3)4/h6,8-10H,7H2,1-5H3,(H,16,19)
InChIKeyKATAZTJTKNDPBH-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.18
Rot. Bonds5

About 2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide

2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 114584920) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
PubChem CID114584920
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)c1nc(Cl)cc(=O)n1CC(=O)NC(C)C(C)C
InChIInChI=1S/C14H22ClN3O2/c1-8(2)10(5)16-12(19)7-18-13(20)6-11(15)17-14(18)9(3)4/h6,8-10H,7H2,1-5H3,(H,16,19)
InChIKeyKATAZTJTKNDPBH-UHFFFAOYSA-N
XLogP2.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.18
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-(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-pentan-3-ylacetamide
CID 113604185
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide
CID 113604189
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 113604190
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
CID 113604200
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 113604268

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide (CID 114584920) is 2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide is CC(C)c1nc(Cl)cc(=O)n1CC(=O)NC(C)C(C)C.
What is the InChIKey of 2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is KATAZTJTKNDPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-8(2)10(5)16-12(19)7-18-13(20)6-11(15)17-14(18)9(3)4/h6,8-10H,7H2,1-5H3,(H,16,19).
What are the key properties of 2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide?
2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 299.80 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 114584920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).