N-butan-2-yl-2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide

C13H18ClN3O2 — CID 114584556

IUPACN-butan-2-yl-2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide
SMILESCCC(C)NC(=O)Cn1c(C2CC2)nc(Cl)cc1=O
InChIInChI=1S/C13H18ClN3O2/c1-3-8(2)15-11(18)7-17-12(19)6-10(14)16-13(17)9-4-5-9/h6,8-9H,3-5,7H2,1-2H3,(H,15,18)
InChIKeyVNJKFTIVNMLLHV-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.69
Rot. Bonds5

About N-butan-2-yl-2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide

N-butan-2-yl-2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 114584556) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID114584556
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC NameN-butan-2-yl-2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide
SMILESCCC(C)NC(=O)Cn1c(C2CC2)nc(Cl)cc1=O
InChIInChI=1S/C13H18ClN3O2/c1-3-8(2)15-11(18)7-17-12(19)6-10(14)16-13(17)9-4-5-9/h6,8-9H,3-5,7H2,1-2H3,(H,15,18)
InChIKeyVNJKFTIVNMLLHV-UHFFFAOYSA-N
XLogP1.69
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-6-oxo-2-pentylpyrimidin-1-yl)-N-(1-cyanocyclopropyl)acetamide
CID 130182648
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 113604157
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-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
CID 113604200
N-butan-2-yl-2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 113604489
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 113604502

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide (CID 114584556) is N-butan-2-yl-2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide is CCC(C)NC(=O)Cn1c(C2CC2)nc(Cl)cc1=O.
What is the InChIKey of N-butan-2-yl-2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is VNJKFTIVNMLLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-3-8(2)15-11(18)7-17-12(19)6-10(14)16-13(17)9-4-5-9/h6,8-9H,3-5,7H2,1-2H3,(H,15,18).
What are the key properties of N-butan-2-yl-2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide?
N-butan-2-yl-2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 283.76 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 114584556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).