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

C11H16ClN3O2 — CID 114581660

IUPACN-butan-2-yl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCCC(C)NC(=O)Cn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C11H16ClN3O2/c1-4-7(2)13-10(16)6-15-8(3)14-9(12)5-11(15)17/h5,7H,4,6H2,1-3H3,(H,13,16)
InChIKeyDMXAVJCMOWNNBR-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.12
Rot. Bonds4

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

N-butan-2-yl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 114581660) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID114581660
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC NameN-butan-2-yl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCCC(C)NC(=O)Cn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C11H16ClN3O2/c1-4-7(2)13-10(16)6-15-8(3)14-9(12)5-11(15)17/h5,7H,4,6H2,1-3H3,(H,13,16)
InChIKeyDMXAVJCMOWNNBR-UHFFFAOYSA-N
XLogP1.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N~2~,N~2~-diethyl-N~1~-[(6-hydroxy-2-methylpyrimidin-4-yl)methyl]glycinamide
CID 136663687
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-ethyl-2-[2-methyl-5-(methylamino)-6-oxopyrimidin-1-yl]acetamide
CID 60084806
N-butan-2-yl-6-oxo-1H-pyrimidine-2-carboxamide
CID 172999736
6-oxo-N-propan-2-yl-1H-pyrimidine-2-carboxamide
CID 172999971
2,6-Dimethyl-3-[2-(propylamino)propyl]pyrimidin-4-one
CID 55227672
2,6-Dimethyl-3-[2-(methylamino)propyl]pyrimidin-4-one
CID 63768999
3-[2-(Ethylamino)propyl]-2,6-dimethylpyrimidin-4-one
CID 63769353
3-[2-(Butan-2-ylamino)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63793848
N-butan-2-yl-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66343169

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide (CID 114581660) is N-butan-2-yl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide is CCC(C)NC(=O)Cn1c(C)nc(Cl)cc1=O.
What is the InChIKey of N-butan-2-yl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is DMXAVJCMOWNNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-4-7(2)13-10(16)6-15-8(3)14-9(12)5-11(15)17/h5,7H,4,6H2,1-3H3,(H,13,16).
What are the key properties of N-butan-2-yl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide?
N-butan-2-yl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 257.72 g/mol, XLogP of 1.12, 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)acetamide is sourced from PubChem (CID 114581660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).