4-chloro-6-(2-ethyl-3-oxopiperazin-1-yl)-2-methylpyrimidine-5-carbaldehyde

C12H15ClN4O2 — CID 80732675

IUPAC4-chloro-6-(2-ethyl-3-oxopiperazin-1-yl)-2-methylpyrimidine-5-carbaldehyde
SMILESCCC1C(=O)NCCN1c1nc(C)nc(Cl)c1C=O
InChIInChI=1S/C12H15ClN4O2/c1-3-9-12(19)14-4-5-17(9)11-8(6-18)10(13)15-7(2)16-11/h6,9H,3-5H2,1-2H3,(H,14,19)
InChIKeyWZPPIKXPMSGMBL-UHFFFAOYSA-N
MW282.73 g/mol
LogP0.97
Rot. Bonds3

About 4-chloro-6-(2-ethyl-3-oxopiperazin-1-yl)-2-methylpyrimidine-5-carbaldehyde

4-chloro-6-(2-ethyl-3-oxopiperazin-1-yl)-2-methylpyrimidine-5-carbaldehyde (PubChem CID 80732675) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is 4-chloro-6-(2-ethyl-3-oxopiperazin-1-yl)-2-methylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-(2-ethyl-3-oxopiperazin-1-yl)-2-methylpyrimidine-5-carbaldehyde
PubChem CID80732675
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC Name4-chloro-6-(2-ethyl-3-oxopiperazin-1-yl)-2-methylpyrimidine-5-carbaldehyde
SMILESCCC1C(=O)NCCN1c1nc(C)nc(Cl)c1C=O
InChIInChI=1S/C12H15ClN4O2/c1-3-9-12(19)14-4-5-17(9)11-8(6-18)10(13)15-7(2)16-11/h6,9H,3-5H2,1-2H3,(H,14,19)
InChIKeyWZPPIKXPMSGMBL-UHFFFAOYSA-N
XLogP0.97
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(6-chloro-4,5-dimethylpyridazin-3-yl)-3-ethylpiperazin-2-one
CID 55215775
4-chloro-6-(2-ethylpyrrolidin-1-yl)-2-methylpyrimidine-5-carbaldehyde
CID 80733265
4-chloro-2-(2-ethyl-3-oxopiperazin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 80687617
2-(2-ethyl-3-oxopiperazin-1-yl)quinoline-3-carbaldehyde
CID 63601144
3-ethyl-4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-2-one
CID 133461689
4-chloro-2-methyl-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde
CID 80732052
4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-3-ethylpiperazin-2-one
CID 102758288
4-(3-bromo-5-chloro-2-pyridinyl)-3-ethylpiperazin-2-one
CID 114837103
3-ethyl-4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-2-one
CID 80833586
2-(2-ethyl-3-oxopiperazin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid
CID 63604743
4-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-2-methylpyrimidine-5-carbaldehyde
CID 80732678
4-(6,7-dichloroquinoxalin-2-yl)-3-ethylpiperazin-2-one
CID 167888729

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-ethyl-3-oxopiperazin-1-yl)-2-methylpyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-(2-ethyl-3-oxopiperazin-1-yl)-2-methylpyrimidine-5-carbaldehyde (CID 80732675) is 4-chloro-6-(2-ethyl-3-oxopiperazin-1-yl)-2-methylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-(2-ethyl-3-oxopiperazin-1-yl)-2-methylpyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-(2-ethyl-3-oxopiperazin-1-yl)-2-methylpyrimidine-5-carbaldehyde is CCC1C(=O)NCCN1c1nc(C)nc(Cl)c1C=O.
What is the InChIKey of 4-chloro-6-(2-ethyl-3-oxopiperazin-1-yl)-2-methylpyrimidine-5-carbaldehyde?
The InChIKey is WZPPIKXPMSGMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2/c1-3-9-12(19)14-4-5-17(9)11-8(6-18)10(13)15-7(2)16-11/h6,9H,3-5H2,1-2H3,(H,14,19).
What are the key properties of 4-chloro-6-(2-ethyl-3-oxopiperazin-1-yl)-2-methylpyrimidine-5-carbaldehyde?
4-chloro-6-(2-ethyl-3-oxopiperazin-1-yl)-2-methylpyrimidine-5-carbaldehyde has a molecular weight of 282.73 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-ethyl-3-oxopiperazin-1-yl)-2-methylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 80732675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).