7-chloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-amine

C8H6ClFN4S — CID 155630287

IUPAC7-chloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-amine
SMILESCSc1nc(N)c2cnc(Cl)c(F)c2n1
InChIInChI=1S/C8H6ClFN4S/c1-15-8-13-5-3(7(11)14-8)2-12-6(9)4(5)10/h2H,1H3,(H2,11,13,14)
InChIKeyKXPNGCUKRNCOOI-UHFFFAOYSA-N
MW244.68 g/mol
LogP2.12
Rot. Bonds1

About 7-chloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-amine

7-chloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-amine (PubChem CID 155630287) has the molecular formula C8H6ClFN4S and a molecular weight of 244.68 g/mol. Its IUPAC name is 7-chloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-chloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-amine
PubChem CID155630287
Molecular FormulaC8H6ClFN4S
Molecular Weight244.68 g/mol
Exact Mass244.00
IUPAC Name7-chloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-amine
SMILESCSc1nc(N)c2cnc(Cl)c(F)c2n1
InChIInChI=1S/C8H6ClFN4S/c1-15-8-13-5-3(7(11)14-8)2-12-6(9)4(5)10/h2H,1H3,(H2,11,13,14)
InChIKeyKXPNGCUKRNCOOI-UHFFFAOYSA-N
XLogP2.12
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 52.12
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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Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 7-chloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-amine (CID 155630287) is 7-chloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-chloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-chloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-amine is CSc1nc(N)c2cnc(Cl)c(F)c2n1.
What is the InChIKey of 7-chloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is KXPNGCUKRNCOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN4S/c1-15-8-13-5-3(7(11)14-8)2-12-6(9)4(5)10/h2H,1H3,(H2,11,13,14).
What are the key properties of 7-chloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-amine?
7-chloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 244.68 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155630287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).