N-butan-2-yl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide

C12H18ClN3O2 — CID 114581678

IUPACN-butan-2-yl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide
SMILESCCC(C)NC(=O)C(C)n1c(C)nc(Cl)cc1=O
InChIInChI=1S/C12H18ClN3O2/c1-5-7(2)14-12(18)8(3)16-9(4)15-10(13)6-11(16)17/h6-8H,5H2,1-4H3,(H,14,18)
InChIKeySESIQHZMQNWTRM-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.68
Rot. Bonds4

About N-butan-2-yl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide

N-butan-2-yl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide (PubChem CID 114581678) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide
PubChem CID114581678
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC NameN-butan-2-yl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide
SMILESCCC(C)NC(=O)C(C)n1c(C)nc(Cl)cc1=O
InChIInChI=1S/C12H18ClN3O2/c1-5-7(2)14-12(18)8(3)16-9(4)15-10(13)6-11(16)17/h6-8H,5H2,1-4H3,(H,14,18)
InChIKeySESIQHZMQNWTRM-UHFFFAOYSA-N
XLogP1.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 113604180
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 113604521
2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114585012
N-butan-2-yl-6-oxo-1H-pyrimidine-2-carboxamide
CID 172999736
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-(ethylcarbamoyl)propanamide
CID 113604177
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

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide?
The IUPAC name of N-butan-2-yl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide (CID 114581678) is N-butan-2-yl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-butan-2-yl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-butan-2-yl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide is CCC(C)NC(=O)C(C)n1c(C)nc(Cl)cc1=O.
What is the InChIKey of N-butan-2-yl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide?
The InChIKey is SESIQHZMQNWTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-5-7(2)14-12(18)8(3)16-9(4)15-10(13)6-11(16)17/h6-8H,5H2,1-4H3,(H,14,18).
What are the key properties of N-butan-2-yl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide?
N-butan-2-yl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide has a molecular weight of 271.75 g/mol, XLogP of 1.68, 4 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-methyl-6-oxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 114581678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).