3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-2-methylpropanamide

C11H16ClN3O2 — CID 114584813

IUPAC3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-2-methylpropanamide
SMILESCC(Cn1c(C(C)C)nc(Cl)cc1=O)C(N)=O
InChIInChI=1S/C11H16ClN3O2/c1-6(2)11-14-8(12)4-9(16)15(11)5-7(3)10(13)17/h4,6-7H,5H2,1-3H3,(H2,13,17)
InChIKeyHCWWNQOQPGQKQK-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.14
Rot. Bonds4

About 3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-2-methylpropanamide

3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-2-methylpropanamide (PubChem CID 114584813) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-2-methylpropanamide
PubChem CID114584813
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-2-methylpropanamide
SMILESCC(Cn1c(C(C)C)nc(Cl)cc1=O)C(N)=O
InChIInChI=1S/C11H16ClN3O2/c1-6(2)11-14-8(12)4-9(16)15(11)5-7(3)10(13)17/h4,6-7H,5H2,1-3H3,(H2,13,17)
InChIKeyHCWWNQOQPGQKQK-UHFFFAOYSA-N
XLogP1.14
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-2-methylpropanamide?
The IUPAC name of 3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-2-methylpropanamide (CID 114584813) is 3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-2-methylpropanamide.
What is the SMILES notation for 3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-2-methylpropanamide?
The canonical SMILES for 3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-2-methylpropanamide is CC(Cn1c(C(C)C)nc(Cl)cc1=O)C(N)=O.
What is the InChIKey of 3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-2-methylpropanamide?
The InChIKey is HCWWNQOQPGQKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-6(2)11-14-8(12)4-9(16)15(11)5-7(3)10(13)17/h4,6-7H,5H2,1-3H3,(H2,13,17).
What are the key properties of 3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-2-methylpropanamide?
3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-2-methylpropanamide has a molecular weight of 257.72 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-2-methylpropanamide is sourced from PubChem (CID 114584813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).