2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-pentan-2-ylacetamide

C14H22ClN3O2 — CID 114585077

IUPAC2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1c(C(C)C)nc(Cl)cc1=O
InChIInChI=1S/C14H22ClN3O2/c1-5-6-10(4)16-12(19)8-18-13(20)7-11(15)17-14(18)9(2)3/h7,9-10H,5-6,8H2,1-4H3,(H,16,19)
InChIKeyBOANEDCNTGGFDO-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.32
Rot. Bonds6

About 2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-pentan-2-ylacetamide

2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-pentan-2-ylacetamide (PubChem CID 114585077) 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-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-pentan-2-ylacetamide
PubChem CID114585077
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1c(C(C)C)nc(Cl)cc1=O
InChIInChI=1S/C14H22ClN3O2/c1-5-6-10(4)16-12(19)8-18-13(20)7-11(15)17-14(18)9(2)3/h7,9-10H,5-6,8H2,1-4H3,(H,16,19)
InChIKeyBOANEDCNTGGFDO-UHFFFAOYSA-N
XLogP2.32
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.32
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-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114584717
2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114585012
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-(4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604232
N-butan-2-yl-2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 113604489

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-pentan-2-ylacetamide (CID 114585077) is 2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)Cn1c(C(C)C)nc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-pentan-2-ylacetamide?
The InChIKey is BOANEDCNTGGFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-5-6-10(4)16-12(19)8-18-13(20)7-11(15)17-14(18)9(2)3/h7,9-10H,5-6,8H2,1-4H3,(H,16,19).
What are the key properties of 2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-pentan-2-ylacetamide?
2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-pentan-2-ylacetamide has a molecular weight of 299.80 g/mol, XLogP of 2.32, 6 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-pentan-2-ylacetamide is sourced from PubChem (CID 114585077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).