2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide

C12H18ClN3O3 — CID 114585324

IUPAC2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
SMILESCOc1c(Cl)ncn(C(C)C(=O)NCC(C)C)c1=O
InChIInChI=1S/C12H18ClN3O3/c1-7(2)5-14-11(17)8(3)16-6-15-10(13)9(19-4)12(16)18/h6-8H,5H2,1-4H3,(H,14,17)
InChIKeyLLESXEWQIRKARP-UHFFFAOYSA-N
MW287.75 g/mol
LogP1.24
Rot. Bonds5

About 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide

2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide (PubChem CID 114585324) has the molecular formula C12H18ClN3O3 and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
PubChem CID114585324
Molecular FormulaC12H18ClN3O3
Molecular Weight287.75 g/mol
Exact Mass287.10
IUPAC Name2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
SMILESCOc1c(Cl)ncn(C(C)C(=O)NCC(C)C)c1=O
InChIInChI=1S/C12H18ClN3O3/c1-7(2)5-14-11(17)8(3)16-6-15-10(13)9(19-4)12(16)18/h6-8H,5H2,1-4H3,(H,14,17)
InChIKeyLLESXEWQIRKARP-UHFFFAOYSA-N
XLogP1.24
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide 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-5-methoxy-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 114585430
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
CID 114585409
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 114585181
2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 114584085
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(cyanomethyl)acetamide
CID 114585387
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-phenylpropanamide
CID 114582799
3,5-dichloro-4-methoxy-N-(2-methylpropyl)benzamide
CID 51217200
2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide
CID 47986094
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 114582538
6-chloro-3-[2-(dimethylamino)ethyl]-5-methoxypyrimidin-4-one
CID 114585412
1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]imidazole-4-sulfonyl chloride
CID 82913349
6-chloro-3-[(4-chlorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 114585475

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide (CID 114585324) is 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide is COc1c(Cl)ncn(C(C)C(=O)NCC(C)C)c1=O.
What is the InChIKey of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide?
The InChIKey is LLESXEWQIRKARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3/c1-7(2)5-14-11(17)8(3)16-6-15-10(13)9(19-4)12(16)18/h6-8H,5H2,1-4H3,(H,14,17).
What are the key properties of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide?
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide has a molecular weight of 287.75 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 114585324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).