4-chloro-2-methyl-6-[methyl(2-thiophen-2-ylethyl)amino]pyrimidine-5-carbaldehyde

C13H14ClN3OS — CID 80731639

IUPAC4-chloro-2-methyl-6-[methyl(2-thiophen-2-ylethyl)amino]pyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(N(C)CCc2cccs2)n1
InChIInChI=1S/C13H14ClN3OS/c1-9-15-12(14)11(8-18)13(16-9)17(2)6-5-10-4-3-7-19-10/h3-4,7-8H,5-6H2,1-2H3
InChIKeySUJZRJBHXVSJIF-UHFFFAOYSA-N
MW295.80 g/mol
LogP2.99
Rot. Bonds5

About 4-chloro-2-methyl-6-[methyl(2-thiophen-2-ylethyl)amino]pyrimidine-5-carbaldehyde

4-chloro-2-methyl-6-[methyl(2-thiophen-2-ylethyl)amino]pyrimidine-5-carbaldehyde (PubChem CID 80731639) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-[methyl(2-thiophen-2-ylethyl)amino]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-methyl-6-[methyl(2-thiophen-2-ylethyl)amino]pyrimidine-5-carbaldehyde
PubChem CID80731639
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name4-chloro-2-methyl-6-[methyl(2-thiophen-2-ylethyl)amino]pyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(N(C)CCc2cccs2)n1
InChIInChI=1S/C13H14ClN3OS/c1-9-15-12(14)11(8-18)13(16-9)17(2)6-5-10-4-3-7-19-10/h3-4,7-8H,5-6H2,1-2H3
InChIKeySUJZRJBHXVSJIF-UHFFFAOYSA-N
XLogP2.99
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-chloro-2-methyl-6-[methyl(2-thiophen-2-ylethyl)amino]pyrimidine-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-methyl-6-(thiophen-2-ylmethylamino)pyrimidine-5-carbaldehyde
CID 80732585
4-N,2,5-trimethyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80849972
4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)phthalazin-1-amine
CID 79487719
4-chloro-6-[5-hydroxypentyl(methyl)amino]-2-methylpyrimidine-5-carbaldehyde
CID 107200569
4-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carbaldehyde
CID 66334837
6-chloro-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 63728632
4,6-dimethyl-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid
CID 79494614
[1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-3-yl]methanol
CID 79489158
3,5-difluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzaldehyde
CID 79476243
4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 79486566
5-amino-6-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxamide
CID 114406981
N-[(2-chlorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine;hydrochloride
CID 71750260

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-[methyl(2-thiophen-2-ylethyl)amino]pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-2-methyl-6-[methyl(2-thiophen-2-ylethyl)amino]pyrimidine-5-carbaldehyde (CID 80731639) is 4-chloro-2-methyl-6-[methyl(2-thiophen-2-ylethyl)amino]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-methyl-6-[methyl(2-thiophen-2-ylethyl)amino]pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-methyl-6-[methyl(2-thiophen-2-ylethyl)amino]pyrimidine-5-carbaldehyde is Cc1nc(Cl)c(C=O)c(N(C)CCc2cccs2)n1.
What is the InChIKey of 4-chloro-2-methyl-6-[methyl(2-thiophen-2-ylethyl)amino]pyrimidine-5-carbaldehyde?
The InChIKey is SUJZRJBHXVSJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-9-15-12(14)11(8-18)13(16-9)17(2)6-5-10-4-3-7-19-10/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-6-[methyl(2-thiophen-2-ylethyl)amino]pyrimidine-5-carbaldehyde?
4-chloro-2-methyl-6-[methyl(2-thiophen-2-ylethyl)amino]pyrimidine-5-carbaldehyde has a molecular weight of 295.80 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-[methyl(2-thiophen-2-ylethyl)amino]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 80731639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).