6-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-4-carbaldehyde

C11H10N4O — CID 115531238

IUPAC6-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-4-carbaldehyde
SMILESCc1cc(C=O)nc(-c2ccnc(C)n2)n1
InChIInChI=1S/C11H10N4O/c1-7-5-9(6-16)15-11(13-7)10-3-4-12-8(2)14-10/h3-6H,1-2H3
InChIKeyLZFSMGKNZRRZBX-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.36
Rot. Bonds2

About 6-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-4-carbaldehyde

6-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-4-carbaldehyde (PubChem CID 115531238) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 6-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name6-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-4-carbaldehyde
PubChem CID115531238
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name6-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-4-carbaldehyde
SMILESCc1cc(C=O)nc(-c2ccnc(C)n2)n1
InChIInChI=1S/C11H10N4O/c1-7-5-9(6-16)15-11(13-7)10-3-4-12-8(2)14-10/h3-6H,1-2H3
InChIKeyLZFSMGKNZRRZBX-UHFFFAOYSA-N
XLogP1.36
TPSA68.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.36
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-methyl-2-(4-methylquinolin-2-yl)pyrimidine-4-carbaldehyde
CID 114755476
2,6-dimethylpyrimidine-4-carbaldehyde
CID 22185220
2-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carbaldehyde
CID 115528201
6-methyl-2-(5-methylthiophen-2-yl)pyrimidine-4-carbaldehyde
CID 130756456
4,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylic acid
CID 113329643
2-methyl-4-(2-methyl-4-pyridinyl)pyrimidine
CID 71302575
6-methyl-2-(5-methylthiophen-3-yl)pyrimidine-4-carbaldehyde
CID 130978940
2-(2-methylpyrimidin-4-yl)-6-propan-2-ylpyrimidin-4-amine
CID 113329092
2-(2-methylpyrimidin-4-yl)-1,3-thiazole-5-carbaldehyde
CID 115528106
6-tert-butyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine
CID 115528413
2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidine-4-carbaldehyde
CID 107923046
6-methyl-2-(3-nitrophenyl)pyrimidine-4-carbaldehyde
CID 62742267

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-4-carbaldehyde?
The IUPAC name of 6-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-4-carbaldehyde (CID 115531238) is 6-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-4-carbaldehyde.
What is the SMILES notation for 6-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-4-carbaldehyde?
The canonical SMILES for 6-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-4-carbaldehyde is Cc1cc(C=O)nc(-c2ccnc(C)n2)n1.
What is the InChIKey of 6-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-4-carbaldehyde?
The InChIKey is LZFSMGKNZRRZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c1-7-5-9(6-16)15-11(13-7)10-3-4-12-8(2)14-10/h3-6H,1-2H3.
What are the key properties of 6-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-4-carbaldehyde?
6-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-4-carbaldehyde has a molecular weight of 214.23 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-4-carbaldehyde is sourced from PubChem (CID 115531238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).