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

C11H16ClN3O2 — CID 114581978

IUPAC2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide
SMILESCc1nc(Cl)cc(=O)n1CC(=O)NCC(C)C
InChIInChI=1S/C11H16ClN3O2/c1-7(2)5-13-10(16)6-15-8(3)14-9(12)4-11(15)17/h4,7H,5-6H2,1-3H3,(H,13,16)
InChIKeyBEIWNZNUTPAKDI-UHFFFAOYSA-N
MW257.72 g/mol
LogP0.98
Rot. Bonds4

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

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide (PubChem CID 114581978) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide
PubChem CID114581978
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide
SMILESCc1nc(Cl)cc(=O)n1CC(=O)NCC(C)C
InChIInChI=1S/C11H16ClN3O2/c1-7(2)5-13-10(16)6-15-8(3)14-9(12)4-11(15)17/h4,7H,5-6H2,1-3H3,(H,13,16)
InChIKeyBEIWNZNUTPAKDI-UHFFFAOYSA-N
XLogP0.98
TPSA63.99 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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide (CID 114581978) is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide is Cc1nc(Cl)cc(=O)n1CC(=O)NCC(C)C.
What is the InChIKey of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is BEIWNZNUTPAKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-7(2)5-13-10(16)6-15-8(3)14-9(12)4-11(15)17/h4,7H,5-6H2,1-3H3,(H,13,16).
What are the key properties of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide?
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 257.72 g/mol, XLogP of 0.98, 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-(2-methylpropyl)acetamide is sourced from PubChem (CID 114581978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).