6-methyl-2-(5-methylthiophen-2-yl)pyrimidine-4-carbaldehyde

C11H10N2OS — CID 130756456

IUPAC6-methyl-2-(5-methylthiophen-2-yl)pyrimidine-4-carbaldehyde
SMILESCc1cc(C=O)nc(-c2ccc(C)s2)n1
InChIInChI=1S/C11H10N2OS/c1-7-5-9(6-14)13-11(12-7)10-4-3-8(2)15-10/h3-6H,1-2H3
InChIKeyGNBZWUYPNAECHS-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.63
Rot. Bonds2

About 6-methyl-2-(5-methylthiophen-2-yl)pyrimidine-4-carbaldehyde

6-methyl-2-(5-methylthiophen-2-yl)pyrimidine-4-carbaldehyde (PubChem CID 130756456) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is 6-methyl-2-(5-methylthiophen-2-yl)pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name6-methyl-2-(5-methylthiophen-2-yl)pyrimidine-4-carbaldehyde
PubChem CID130756456
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name6-methyl-2-(5-methylthiophen-2-yl)pyrimidine-4-carbaldehyde
SMILESCc1cc(C=O)nc(-c2ccc(C)s2)n1
InChIInChI=1S/C11H10N2OS/c1-7-5-9(6-14)13-11(12-7)10-4-3-8(2)15-10/h3-6H,1-2H3
InChIKeyGNBZWUYPNAECHS-UHFFFAOYSA-N
XLogP2.63
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(5-methylthiophen-2-yl)pyrimidine-4-carbaldehyde?
The IUPAC name of 6-methyl-2-(5-methylthiophen-2-yl)pyrimidine-4-carbaldehyde (CID 130756456) is 6-methyl-2-(5-methylthiophen-2-yl)pyrimidine-4-carbaldehyde.
What is the SMILES notation for 6-methyl-2-(5-methylthiophen-2-yl)pyrimidine-4-carbaldehyde?
The canonical SMILES for 6-methyl-2-(5-methylthiophen-2-yl)pyrimidine-4-carbaldehyde is Cc1cc(C=O)nc(-c2ccc(C)s2)n1.
What is the InChIKey of 6-methyl-2-(5-methylthiophen-2-yl)pyrimidine-4-carbaldehyde?
The InChIKey is GNBZWUYPNAECHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c1-7-5-9(6-14)13-11(12-7)10-4-3-8(2)15-10/h3-6H,1-2H3.
What are the key properties of 6-methyl-2-(5-methylthiophen-2-yl)pyrimidine-4-carbaldehyde?
6-methyl-2-(5-methylthiophen-2-yl)pyrimidine-4-carbaldehyde has a molecular weight of 218.28 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(5-methylthiophen-2-yl)pyrimidine-4-carbaldehyde is sourced from PubChem (CID 130756456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).