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

C11H14N2OS — CID 130664354

IUPAC6-methyl-2-(2-methylthiolan-2-yl)pyrimidine-4-carbaldehyde
SMILESCc1cc(C=O)nc(C2(C)CCCS2)n1
InChIInChI=1S/C11H14N2OS/c1-8-6-9(7-14)13-10(12-8)11(2)4-3-5-15-11/h6-7H,3-5H2,1-2H3
InChIKeyCHVHVQPJKRJTDE-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.34
Rot. Bonds2

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

6-methyl-2-(2-methylthiolan-2-yl)pyrimidine-4-carbaldehyde (PubChem CID 130664354) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 6-methyl-2-(2-methylthiolan-2-yl)pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name6-methyl-2-(2-methylthiolan-2-yl)pyrimidine-4-carbaldehyde
PubChem CID130664354
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name6-methyl-2-(2-methylthiolan-2-yl)pyrimidine-4-carbaldehyde
SMILESCc1cc(C=O)nc(C2(C)CCCS2)n1
InChIInChI=1S/C11H14N2OS/c1-8-6-9(7-14)13-10(12-8)11(2)4-3-5-15-11/h6-7H,3-5H2,1-2H3
InChIKeyCHVHVQPJKRJTDE-UHFFFAOYSA-N
XLogP2.34
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.34
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

2-(1-methoxycycloheptyl)-6-methylpyrimidine-4-carbaldehyde
CID 116778381
2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carbaldehyde
CID 116778389
2,6-dimethylpyrimidine-4-carbaldehyde
CID 22185220
4-chloro-5-methoxy-2-(2-methylthiolan-2-yl)pyrimidine
CID 130752272
1-[3-(2-methylthiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 130642311
N-methyl-1-[3-[(2S)-2-methylthiolan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine
CID 165342382
2-(hydroxymethyl)-6-methylpyrimidine-4-carbaldehyde
CID 55262490
6-methyl-2-(5-methylthiophen-2-yl)pyrimidine-4-carbaldehyde
CID 130756456
6-methyl-2-(oxolan-2-yl)pyrimidine-4-carbaldehyde
CID 65328561
5-(2-methylthiolan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 81450171
6-methyl-2-(5-methylthiophen-3-yl)pyrimidine-4-carbaldehyde
CID 130978940
2-(1-methylcyclobutyl)-1,3-thiazole-4-carbaldehyde
CID 115015990

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methylthiolan-2-yl)pyrimidine-4-carbaldehyde?
The IUPAC name of 6-methyl-2-(2-methylthiolan-2-yl)pyrimidine-4-carbaldehyde (CID 130664354) is 6-methyl-2-(2-methylthiolan-2-yl)pyrimidine-4-carbaldehyde.
What is the SMILES notation for 6-methyl-2-(2-methylthiolan-2-yl)pyrimidine-4-carbaldehyde?
The canonical SMILES for 6-methyl-2-(2-methylthiolan-2-yl)pyrimidine-4-carbaldehyde is Cc1cc(C=O)nc(C2(C)CCCS2)n1.
What is the InChIKey of 6-methyl-2-(2-methylthiolan-2-yl)pyrimidine-4-carbaldehyde?
The InChIKey is CHVHVQPJKRJTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-8-6-9(7-14)13-10(12-8)11(2)4-3-5-15-11/h6-7H,3-5H2,1-2H3.
What are the key properties of 6-methyl-2-(2-methylthiolan-2-yl)pyrimidine-4-carbaldehyde?
6-methyl-2-(2-methylthiolan-2-yl)pyrimidine-4-carbaldehyde has a molecular weight of 222.31 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methylthiolan-2-yl)pyrimidine-4-carbaldehyde is sourced from PubChem (CID 130664354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).