4-chloro-6-[2-(2-methylphenyl)ethylamino]pyrimidine-5-carbaldehyde

C14H14ClN3O — CID 79756018

IUPAC4-chloro-6-[2-(2-methylphenyl)ethylamino]pyrimidine-5-carbaldehyde
SMILESCc1ccccc1CCNc1ncnc(Cl)c1C=O
InChIInChI=1S/C14H14ClN3O/c1-10-4-2-3-5-11(10)6-7-16-14-12(8-19)13(15)17-9-18-14/h2-5,8-9H,6-7H2,1H3,(H,16,17,18)
InChIKeyUPVAECYLXXRLCK-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.91
Rot. Bonds5

About 4-chloro-6-[2-(2-methylphenyl)ethylamino]pyrimidine-5-carbaldehyde

4-chloro-6-[2-(2-methylphenyl)ethylamino]pyrimidine-5-carbaldehyde (PubChem CID 79756018) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 4-chloro-6-[2-(2-methylphenyl)ethylamino]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-[2-(2-methylphenyl)ethylamino]pyrimidine-5-carbaldehyde
PubChem CID79756018
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name4-chloro-6-[2-(2-methylphenyl)ethylamino]pyrimidine-5-carbaldehyde
SMILESCc1ccccc1CCNc1ncnc(Cl)c1C=O
InChIInChI=1S/C14H14ClN3O/c1-10-4-2-3-5-11(10)6-7-16-14-12(8-19)13(15)17-9-18-14/h2-5,8-9H,6-7H2,1H3,(H,16,17,18)
InChIKeyUPVAECYLXXRLCK-UHFFFAOYSA-N
XLogP2.91
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-[(2-hydroxyphenyl)methylamino]pyrimidine-5-carbaldehyde
CID 106196551
4-chloro-6-[2-(4-methoxyphenyl)ethylamino]pyrimidine-5-carbaldehyde
CID 66368177
4-chloro-6-[3-(dimethylamino)propylamino]pyrimidine-5-carbaldehyde
CID 66366320
5-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidin-4-amine
CID 105369517
4-chloro-6-(pentylamino)pyrimidine-5-carbaldehyde
CID 66368178
4-chloro-6-[4-(dimethylamino)butylamino]pyrimidine-5-carbaldehyde
CID 66366743
4-chloro-6-[[2-(ethoxymethyl)phenyl]methylamino]pyrimidine-5-carbaldehyde
CID 106192866
6-hydrazinyl-5-methyl-N-[2-(2-methylphenyl)ethyl]pyrimidin-4-amine
CID 80930265
4-chloro-6-[(2-methyl-2-phenylpropyl)amino]pyrimidine-5-carbaldehyde
CID 106193197
4-chloro-6-[2-(1H-imidazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde
CID 106195043
4-chloro-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidine-5-carbaldehyde
CID 66366338
5-bromo-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 114072528

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[2-(2-methylphenyl)ethylamino]pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-[2-(2-methylphenyl)ethylamino]pyrimidine-5-carbaldehyde (CID 79756018) is 4-chloro-6-[2-(2-methylphenyl)ethylamino]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-[2-(2-methylphenyl)ethylamino]pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-[2-(2-methylphenyl)ethylamino]pyrimidine-5-carbaldehyde is Cc1ccccc1CCNc1ncnc(Cl)c1C=O.
What is the InChIKey of 4-chloro-6-[2-(2-methylphenyl)ethylamino]pyrimidine-5-carbaldehyde?
The InChIKey is UPVAECYLXXRLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-10-4-2-3-5-11(10)6-7-16-14-12(8-19)13(15)17-9-18-14/h2-5,8-9H,6-7H2,1H3,(H,16,17,18).
What are the key properties of 4-chloro-6-[2-(2-methylphenyl)ethylamino]pyrimidine-5-carbaldehyde?
4-chloro-6-[2-(2-methylphenyl)ethylamino]pyrimidine-5-carbaldehyde has a molecular weight of 275.74 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[2-(2-methylphenyl)ethylamino]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 79756018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).