4-chloro-2-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde

C11H12ClN5O2 — CID 114186752

IUPAC4-chloro-2-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde
SMILESCc1noc(CCNc2nc(C)nc(Cl)c2C=O)n1
InChIInChI=1S/C11H12ClN5O2/c1-6-15-10(12)8(5-18)11(16-6)13-4-3-9-14-7(2)17-19-9/h5H,3-4H2,1-2H3,(H,13,15,16)
InChIKeyGETRZIJQWQCXPD-UHFFFAOYSA-N
MW281.70 g/mol
LogP1.60
Rot. Bonds5

About 4-chloro-2-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde

4-chloro-2-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde (PubChem CID 114186752) has the molecular formula C11H12ClN5O2 and a molecular weight of 281.70 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde
PubChem CID114186752
Molecular FormulaC11H12ClN5O2
Molecular Weight281.70 g/mol
Exact Mass281.07
IUPAC Name4-chloro-2-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde
SMILESCc1noc(CCNc2nc(C)nc(Cl)c2C=O)n1
InChIInChI=1S/C11H12ClN5O2/c1-6-15-10(12)8(5-18)11(16-6)13-4-3-9-14-7(2)17-19-9/h5H,3-4H2,1-2H3,(H,13,15,16)
InChIKeyGETRZIJQWQCXPD-UHFFFAOYSA-N
XLogP1.60
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-(4-hydroxybutylamino)-2-methylpyrimidine-5-carbaldehyde
CID 106842900
4-chloro-6-(5-hydroxypentylamino)-2-methylpyrimidine-5-carbaldehyde
CID 107318334
4-chloro-6-(2-ethoxyethylamino)-2-methylpyrimidine-5-carbaldehyde
CID 80731663
4-chloro-6-[2-(1H-imidazol-2-yl)ethylamino]-2-methylpyrimidine-5-carbaldehyde
CID 106196793
4-chloro-6-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpyrimidine-5-carbaldehyde
CID 80726063
6-chloro-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 106421609
4-chloro-2-methyl-6-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-5-carbaldehyde
CID 80733189
4-chloro-2-methyl-6-[2-(trifluoromethylsulfanyl)ethylamino]pyrimidine-5-carbaldehyde
CID 114188159
4-chloro-6-[(5-hydroxy-4-methylpentyl)amino]-2-methylpyrimidine-5-carbaldehyde
CID 114152164
3,5-dichloro-6-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 106424413
4-chloro-2-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyrimidine-5-carbaldehyde
CID 114139469
4-chloro-2-methyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-5-carbaldehyde
CID 106375447

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-2-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde (CID 114186752) is 4-chloro-2-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde is Cc1noc(CCNc2nc(C)nc(Cl)c2C=O)n1.
What is the InChIKey of 4-chloro-2-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde?
The InChIKey is GETRZIJQWQCXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O2/c1-6-15-10(12)8(5-18)11(16-6)13-4-3-9-14-7(2)17-19-9/h5H,3-4H2,1-2H3,(H,13,15,16).
What are the key properties of 4-chloro-2-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde?
4-chloro-2-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde has a molecular weight of 281.70 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 114186752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).