4-chloro-2-methyl-6-(pyridin-2-ylmethyl)pyrimidine-5-carbaldehyde

C12H10ClN3O — CID 80726120

IUPAC4-chloro-2-methyl-6-(pyridin-2-ylmethyl)pyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(Cc2ccccn2)n1
InChIInChI=1S/C12H10ClN3O/c1-8-15-11(10(7-17)12(13)16-8)6-9-4-2-3-5-14-9/h2-5,7H,6H2,1H3
InChIKeyJQKGNIJAIJKFFG-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.24
Rot. Bonds3

About 4-chloro-2-methyl-6-(pyridin-2-ylmethyl)pyrimidine-5-carbaldehyde

4-chloro-2-methyl-6-(pyridin-2-ylmethyl)pyrimidine-5-carbaldehyde (PubChem CID 80726120) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-(pyridin-2-ylmethyl)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-methyl-6-(pyridin-2-ylmethyl)pyrimidine-5-carbaldehyde
PubChem CID80726120
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name4-chloro-2-methyl-6-(pyridin-2-ylmethyl)pyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(Cc2ccccn2)n1
InChIInChI=1S/C12H10ClN3O/c1-8-15-11(10(7-17)12(13)16-8)6-9-4-2-3-5-14-9/h2-5,7H,6H2,1H3
InChIKeyJQKGNIJAIJKFFG-UHFFFAOYSA-N
XLogP2.24
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-benzothiazol-2-ylmethyl)-6-chloro-2-methylpyrimidine-5-carbaldehyde
CID 80725561
4-chloro-6-[methyl(pyridin-2-ylmethyl)amino]pyrimidine-5-carbaldehyde
CID 66335136
6-chloro-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 63728239
4-chloro-5-ethyl-6-methyl-2-(pyridin-2-ylmethyl)pyrimidine
CID 54898230
4-chloro-2-methyl-6-(6-methyl-3-pyridinyl)pyrimidine-5-carbaldehyde
CID 80726421
4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 80687787
4-chloro-6-[(2-chlorophenyl)methylamino]-2-methylpyrimidine-5-carbaldehyde
CID 80731652
5-bromo-4-chloro-6-propyl-2-(pyridin-2-ylmethyl)pyrimidine
CID 66292535
ethyl 4-chloro-2-(pyridin-2-ylmethyl)pyrimidine-5-carboxylate
CID 114213761
ethane;N-(pyridin-2-ylmethyl)formamide
CID 144535996
2-benzylpyridine;(Z)-but-2-enedioic acid
CID 5356234
2,6-dichloro-4-pyridin-2-ylbenzaldehyde
CID 135290721

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-(pyridin-2-ylmethyl)pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-2-methyl-6-(pyridin-2-ylmethyl)pyrimidine-5-carbaldehyde (CID 80726120) is 4-chloro-2-methyl-6-(pyridin-2-ylmethyl)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-methyl-6-(pyridin-2-ylmethyl)pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-methyl-6-(pyridin-2-ylmethyl)pyrimidine-5-carbaldehyde is Cc1nc(Cl)c(C=O)c(Cc2ccccn2)n1.
What is the InChIKey of 4-chloro-2-methyl-6-(pyridin-2-ylmethyl)pyrimidine-5-carbaldehyde?
The InChIKey is JQKGNIJAIJKFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c1-8-15-11(10(7-17)12(13)16-8)6-9-4-2-3-5-14-9/h2-5,7H,6H2,1H3.
What are the key properties of 4-chloro-2-methyl-6-(pyridin-2-ylmethyl)pyrimidine-5-carbaldehyde?
4-chloro-2-methyl-6-(pyridin-2-ylmethyl)pyrimidine-5-carbaldehyde has a molecular weight of 247.69 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-(pyridin-2-ylmethyl)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 80726120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).