5-chloro-4-(4-chlorothieno[3,2-c]pyridin-2-yl)pyrimidin-2-amine

C11H6Cl2N4S — CID 171660023

IUPAC5-chloro-4-(4-chlorothieno[3,2-c]pyridin-2-yl)pyrimidin-2-amine
SMILESNc1ncc(Cl)c(-c2cc3c(Cl)nccc3s2)n1
InChIInChI=1S/C11H6Cl2N4S/c12-6-4-16-11(14)17-9(6)8-3-5-7(18-8)1-2-15-10(5)13/h1-4H,(H2,14,16,17)
InChIKeyJXFBWSNPWZYYOE-UHFFFAOYSA-N
MW297.17 g/mol
LogP3.64
Rot. Bonds1

About 5-chloro-4-(4-chlorothieno[3,2-c]pyridin-2-yl)pyrimidin-2-amine

5-chloro-4-(4-chlorothieno[3,2-c]pyridin-2-yl)pyrimidin-2-amine (PubChem CID 171660023) has the molecular formula C11H6Cl2N4S and a molecular weight of 297.17 g/mol. Its IUPAC name is 5-chloro-4-(4-chlorothieno[3,2-c]pyridin-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(4-chlorothieno[3,2-c]pyridin-2-yl)pyrimidin-2-amine
PubChem CID171660023
Molecular FormulaC11H6Cl2N4S
Molecular Weight297.17 g/mol
Exact Mass295.97
IUPAC Name5-chloro-4-(4-chlorothieno[3,2-c]pyridin-2-yl)pyrimidin-2-amine
SMILESNc1ncc(Cl)c(-c2cc3c(Cl)nccc3s2)n1
InChIInChI=1S/C11H6Cl2N4S/c12-6-4-16-11(14)17-9(6)8-3-5-7(18-8)1-2-15-10(5)13/h1-4H,(H2,14,16,17)
InChIKeyJXFBWSNPWZYYOE-UHFFFAOYSA-N
XLogP3.64
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.17
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dichloropyrimidin-4-yl)-1-benzothiophene-4-carboxylic acid
CID 86625352
5-chloro-4-(8-fluoro-4-methylquinolin-6-yl)pyrimidin-2-amine
CID 171660570
4-(7-chloroisoquinolin-1-yl)pyrimidine-2,5-diamine
CID 122443304
2,5-dichloro-4-(6-methylsulfanyl-1-benzothiophen-2-yl)pyrimidine
CID 86625356
4-(6-bromo-1-benzothiophen-2-yl)-2,5-dichloropyrimidine
CID 86625387
5-chloro-4-isoquinolin-4-ylpyrimidin-2-amine
CID 166661287
5-chloro-4-(1-methylsulfanylindol-4-yl)pyrimidin-2-amine
CID 171661368
4-chloro-2-propan-2-ylsulfonylthieno[3,2-c]pyridine
CID 20680804
4-(5-bromo-1H-indol-3-yl)-5-chloropyrimidin-2-amine;4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine;methane
CID 159505569
5-chloro-4-naphthalen-2-ylsulfanylpyrimidin-2-amine
CID 80884713
4-(2-chlorophenyl)-5-methylpyrimidin-2-amine
CID 68614881
8-bromo-1-chloro-[1]benzothiolo[3,2-c]pyridine
CID 155327355

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-chlorothieno[3,2-c]pyridin-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(4-chlorothieno[3,2-c]pyridin-2-yl)pyrimidin-2-amine (CID 171660023) is 5-chloro-4-(4-chlorothieno[3,2-c]pyridin-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(4-chlorothieno[3,2-c]pyridin-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(4-chlorothieno[3,2-c]pyridin-2-yl)pyrimidin-2-amine is Nc1ncc(Cl)c(-c2cc3c(Cl)nccc3s2)n1.
What is the InChIKey of 5-chloro-4-(4-chlorothieno[3,2-c]pyridin-2-yl)pyrimidin-2-amine?
The InChIKey is JXFBWSNPWZYYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N4S/c12-6-4-16-11(14)17-9(6)8-3-5-7(18-8)1-2-15-10(5)13/h1-4H,(H2,14,16,17).
What are the key properties of 5-chloro-4-(4-chlorothieno[3,2-c]pyridin-2-yl)pyrimidin-2-amine?
5-chloro-4-(4-chlorothieno[3,2-c]pyridin-2-yl)pyrimidin-2-amine has a molecular weight of 297.17 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-chlorothieno[3,2-c]pyridin-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 171660023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).