6-chloro-2-[1-(7-chloro-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidin-4-amine

C15H17Cl2N5S — CID 18799978

IUPAC6-chloro-2-[1-(7-chloro-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidin-4-amine
SMILESCC(Sc1nc(N)cc(Cl)n1)c1cc2c(c(Cl)n1)NCC2(C)C
InChIInChI=1S/C15H17Cl2N5S/c1-7(23-14-21-10(16)5-11(18)22-14)9-4-8-12(13(17)20-9)19-6-15(8,2)3/h4-5,7,19H,6H2,1-3H3,(H2,18,21,22)
InChIKeyNINURCHHPYYOJA-UHFFFAOYSA-N
MW370.31 g/mol
LogP4.32
Rot. Bonds3

About 6-chloro-2-[1-(7-chloro-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidin-4-amine

6-chloro-2-[1-(7-chloro-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidin-4-amine (PubChem CID 18799978) has the molecular formula C15H17Cl2N5S and a molecular weight of 370.31 g/mol. Its IUPAC name is 6-chloro-2-[1-(7-chloro-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-[1-(7-chloro-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidin-4-amine
PubChem CID18799978
Molecular FormulaC15H17Cl2N5S
Molecular Weight370.31 g/mol
Exact Mass369.06
IUPAC Name6-chloro-2-[1-(7-chloro-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidin-4-amine
SMILESCC(Sc1nc(N)cc(Cl)n1)c1cc2c(c(Cl)n1)NCC2(C)C
InChIInChI=1S/C15H17Cl2N5S/c1-7(23-14-21-10(16)5-11(18)22-14)9-4-8-12(13(17)20-9)19-6-15(8,2)3/h4-5,7,19H,6H2,1-3H3,(H2,18,21,22)
InChIKeyNINURCHHPYYOJA-UHFFFAOYSA-N
XLogP4.32
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-chloro-2-[1-(7-chloro-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[1-(7-chloro-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-[1-(7-chloro-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidin-4-amine (CID 18799978) is 6-chloro-2-[1-(7-chloro-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-[1-(7-chloro-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-[1-(7-chloro-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidin-4-amine is CC(Sc1nc(N)cc(Cl)n1)c1cc2c(c(Cl)n1)NCC2(C)C.
What is the InChIKey of 6-chloro-2-[1-(7-chloro-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidin-4-amine?
The InChIKey is NINURCHHPYYOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N5S/c1-7(23-14-21-10(16)5-11(18)22-14)9-4-8-12(13(17)20-9)19-6-15(8,2)3/h4-5,7,19H,6H2,1-3H3,(H2,18,21,22).
What are the key properties of 6-chloro-2-[1-(7-chloro-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidin-4-amine?
6-chloro-2-[1-(7-chloro-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidin-4-amine has a molecular weight of 370.31 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[1-(7-chloro-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 18799978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).