2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide

C10H14ClN3O2 — CID 114581819

IUPAC2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
SMILESCc1nc(Cl)cc(=O)n1CC(=O)NC(C)C
InChIInChI=1S/C10H14ClN3O2/c1-6(2)12-9(15)5-14-7(3)13-8(11)4-10(14)16/h4,6H,5H2,1-3H3,(H,12,15)
InChIKeyCRENBTQRIGWWNH-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.73
Rot. Bonds3

About 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide (PubChem CID 114581819) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
PubChem CID114581819
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
SMILESCc1nc(Cl)cc(=O)n1CC(=O)NC(C)C
InChIInChI=1S/C10H14ClN3O2/c1-6(2)12-9(15)5-14-7(3)13-8(11)4-10(14)16/h4,6H,5H2,1-3H3,(H,12,15)
InChIKeyCRENBTQRIGWWNH-UHFFFAOYSA-N
XLogP0.73
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.73
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-propan-2-ylacetamide?
The IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide (CID 114581819) is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide is Cc1nc(Cl)cc(=O)n1CC(=O)NC(C)C.
What is the InChIKey of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide?
The InChIKey is CRENBTQRIGWWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-6(2)12-9(15)5-14-7(3)13-8(11)4-10(14)16/h4,6H,5H2,1-3H3,(H,12,15).
What are the key properties of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide?
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide has a molecular weight of 243.69 g/mol, XLogP of 0.73, 3 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-propan-2-ylacetamide is sourced from PubChem (CID 114581819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).