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

C12H11ClN4O — CID 66335136

IUPAC4-chloro-6-[methyl(pyridin-2-ylmethyl)amino]pyrimidine-5-carbaldehyde
SMILESCN(Cc1ccccn1)c1ncnc(Cl)c1C=O
InChIInChI=1S/C12H11ClN4O/c1-17(6-9-4-2-3-5-14-9)12-10(7-18)11(13)15-8-16-12/h2-5,7-8H,6H2,1H3
InChIKeyCNPSBQOSCUHEQW-UHFFFAOYSA-N
MW262.70 g/mol
LogP1.97
Rot. Bonds4

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

4-chloro-6-[methyl(pyridin-2-ylmethyl)amino]pyrimidine-5-carbaldehyde (PubChem CID 66335136) has the molecular formula C12H11ClN4O and a molecular weight of 262.70 g/mol. Its IUPAC name is 4-chloro-6-[methyl(pyridin-2-ylmethyl)amino]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-[methyl(pyridin-2-ylmethyl)amino]pyrimidine-5-carbaldehyde
PubChem CID66335136
Molecular FormulaC12H11ClN4O
Molecular Weight262.70 g/mol
Exact Mass262.06
IUPAC Name4-chloro-6-[methyl(pyridin-2-ylmethyl)amino]pyrimidine-5-carbaldehyde
SMILESCN(Cc1ccccn1)c1ncnc(Cl)c1C=O
InChIInChI=1S/C12H11ClN4O/c1-17(6-9-4-2-3-5-14-9)12-10(7-18)11(13)15-8-16-12/h2-5,7-8H,6H2,1H3
InChIKeyCNPSBQOSCUHEQW-UHFFFAOYSA-N
XLogP1.97
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-5-ethyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 55229872
4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 80687787
4-chloro-6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-5-carbaldehyde
CID 66334683
3-chloro-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 75515545
7-chloro-N-methyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 86839611
4-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine
CID 79918710
4-chloro-N-methyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine
CID 62141726
4-chloro-6-[methyl(pentyl)amino]pyrimidine-5-carbaldehyde
CID 66334529
1,3-dimethyl-5-[methyl(pyridin-2-ylmethyl)amino]pyrazole-4-carbaldehyde
CID 43565126
5-iodo-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66340183
6-chloro-2-ethyl-N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80971281
N,7-dimethyl-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 171328912

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[methyl(pyridin-2-ylmethyl)amino]pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-[methyl(pyridin-2-ylmethyl)amino]pyrimidine-5-carbaldehyde (CID 66335136) is 4-chloro-6-[methyl(pyridin-2-ylmethyl)amino]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-[methyl(pyridin-2-ylmethyl)amino]pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-[methyl(pyridin-2-ylmethyl)amino]pyrimidine-5-carbaldehyde is CN(Cc1ccccn1)c1ncnc(Cl)c1C=O.
What is the InChIKey of 4-chloro-6-[methyl(pyridin-2-ylmethyl)amino]pyrimidine-5-carbaldehyde?
The InChIKey is CNPSBQOSCUHEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O/c1-17(6-9-4-2-3-5-14-9)12-10(7-18)11(13)15-8-16-12/h2-5,7-8H,6H2,1H3.
What are the key properties of 4-chloro-6-[methyl(pyridin-2-ylmethyl)amino]pyrimidine-5-carbaldehyde?
4-chloro-6-[methyl(pyridin-2-ylmethyl)amino]pyrimidine-5-carbaldehyde has a molecular weight of 262.70 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[methyl(pyridin-2-ylmethyl)amino]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 66335136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).