6-amino-5-chloro-2-(5-methoxythiophen-2-yl)pyrimidine-4-carbaldehyde

C10H8ClN3O2S — CID 88934599

IUPAC6-amino-5-chloro-2-(5-methoxythiophen-2-yl)pyrimidine-4-carbaldehyde
SMILESCOc1ccc(-c2nc(N)c(Cl)c(C=O)n2)s1
InChIInChI=1S/C10H8ClN3O2S/c1-16-7-3-2-6(17-7)10-13-5(4-15)8(11)9(12)14-10/h2-4H,1H3,(H2,12,13,14)
InChIKeyDWHHWVAXUDVLJD-UHFFFAOYSA-N
MW269.71 g/mol
LogP2.26
Rot. Bonds3

About 6-amino-5-chloro-2-(5-methoxythiophen-2-yl)pyrimidine-4-carbaldehyde

6-amino-5-chloro-2-(5-methoxythiophen-2-yl)pyrimidine-4-carbaldehyde (PubChem CID 88934599) has the molecular formula C10H8ClN3O2S and a molecular weight of 269.71 g/mol. Its IUPAC name is 6-amino-5-chloro-2-(5-methoxythiophen-2-yl)pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name6-amino-5-chloro-2-(5-methoxythiophen-2-yl)pyrimidine-4-carbaldehyde
PubChem CID88934599
Molecular FormulaC10H8ClN3O2S
Molecular Weight269.71 g/mol
Exact Mass269.00
IUPAC Name6-amino-5-chloro-2-(5-methoxythiophen-2-yl)pyrimidine-4-carbaldehyde
SMILESCOc1ccc(-c2nc(N)c(Cl)c(C=O)n2)s1
InChIInChI=1S/C10H8ClN3O2S/c1-16-7-3-2-6(17-7)10-13-5(4-15)8(11)9(12)14-10/h2-4H,1H3,(H2,12,13,14)
InChIKeyDWHHWVAXUDVLJD-UHFFFAOYSA-N
XLogP2.26
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-amino-5-chloro-2-(2,4-dimethoxypyrimidin-5-yl)pyrimidine-4-carbaldehyde
CID 88934595
5-[4-(5-methoxythiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophene-2-carbaldehyde
CID 122502656
2-(5-methoxythiophen-2-yl)pyridin-3-amine
CID 130587807
5-[7-(5-methoxythiophen-2-yl)-1,5-naphthyridin-3-yl]thiophene-2-carbaldehyde
CID 122502665
4-amino-3,5,6-trichloropyridine-2-carbaldehyde
CID 86070350
5-[5-[5-(5-methoxythiophen-2-yl)-4-methylthiophen-2-yl]-4-methylthiophen-2-yl]-4-methylthiophene-2-carbaldehyde
CID 102449086
2-(5-methoxythiophen-2-yl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 18681609
2-amino-5-chloro-1,3-thiazole-4-carbaldehyde
CID 2763228
6-chloro-2-(5-chlorothiophen-2-yl)quinazolin-4-amine
CID 64983299
2-(5-bromothiophen-2-yl)-5,6-dimethylpyrimidin-4-amine
CID 62203363
5-bromo-6-(methoxymethyl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 66297571
2-amino-5-methyl-1,3-thiazole-4-carbaldehyde
CID 45083446

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-2-(5-methoxythiophen-2-yl)pyrimidine-4-carbaldehyde?
The IUPAC name of 6-amino-5-chloro-2-(5-methoxythiophen-2-yl)pyrimidine-4-carbaldehyde (CID 88934599) is 6-amino-5-chloro-2-(5-methoxythiophen-2-yl)pyrimidine-4-carbaldehyde.
What is the SMILES notation for 6-amino-5-chloro-2-(5-methoxythiophen-2-yl)pyrimidine-4-carbaldehyde?
The canonical SMILES for 6-amino-5-chloro-2-(5-methoxythiophen-2-yl)pyrimidine-4-carbaldehyde is COc1ccc(-c2nc(N)c(Cl)c(C=O)n2)s1.
What is the InChIKey of 6-amino-5-chloro-2-(5-methoxythiophen-2-yl)pyrimidine-4-carbaldehyde?
The InChIKey is DWHHWVAXUDVLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2S/c1-16-7-3-2-6(17-7)10-13-5(4-15)8(11)9(12)14-10/h2-4H,1H3,(H2,12,13,14).
What are the key properties of 6-amino-5-chloro-2-(5-methoxythiophen-2-yl)pyrimidine-4-carbaldehyde?
6-amino-5-chloro-2-(5-methoxythiophen-2-yl)pyrimidine-4-carbaldehyde has a molecular weight of 269.71 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-2-(5-methoxythiophen-2-yl)pyrimidine-4-carbaldehyde is sourced from PubChem (CID 88934599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).