6-[(6-chloro-3-pyridinyl)methyl]-2-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine

C18H12ClFN4S — CID 45275186

IUPAC6-[(6-chloro-3-pyridinyl)methyl]-2-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2cccc(F)c2)nc2sc(Cc3ccc(Cl)nc3)cc12
InChIInChI=1S/C18H12ClFN4S/c19-15-5-4-10(9-22-15)6-13-8-14-16(21)23-17(24-18(14)25-13)11-2-1-3-12(20)7-11/h1-5,7-9H,6H2,(H2,21,23,24)
InChIKeyBRQZGQYCNJGZLR-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.72
Rot. Bonds3

About 6-[(6-chloro-3-pyridinyl)methyl]-2-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine

6-[(6-chloro-3-pyridinyl)methyl]-2-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45275186) has the molecular formula C18H12ClFN4S and a molecular weight of 370.84 g/mol. Its IUPAC name is 6-[(6-chloro-3-pyridinyl)methyl]-2-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(6-chloro-3-pyridinyl)methyl]-2-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45275186
Molecular FormulaC18H12ClFN4S
Molecular Weight370.84 g/mol
Exact Mass370.05
IUPAC Name6-[(6-chloro-3-pyridinyl)methyl]-2-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2cccc(F)c2)nc2sc(Cc3ccc(Cl)nc3)cc12
InChIInChI=1S/C18H12ClFN4S/c19-15-5-4-10(9-22-15)6-13-8-14-16(21)23-17(24-18(14)25-13)11-2-1-3-12(20)7-11/h1-5,7-9H,6H2,(H2,21,23,24)
InChIKeyBRQZGQYCNJGZLR-UHFFFAOYSA-N
XLogP4.72
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.72
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

5-((4-(6-Chlorothieno(2,3-d)pyrimidin-4-ylamino)piperidin-1-yl)methyl)-2-fluorobenzonitrile
CID 11502243
2-(4-Chloro-5-phenylthieno(2,3-d)pyrimidin-2-yl)pyridine
CID 2535143
Pyridothieno[3,2-d]pyrimidine deriv. 74
CID 5328422
12-Phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 25190906
(2s)-3-Phenyl-N~1~-[2-(Pyridin-4-Yl)-5,6,7,8-Tetrahydro[1]benzothieno[2,3-D]pyrimidin-4-Yl]propane-1,2-Diamine
CID 70702288
N-[2-chloro-5-(4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 122178124
N-[2-chloro-5-(4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 122178125
N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
CID 941960
N-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 2823823
4-Chloro-2-methyl-6-phenylthieno[2,3-d]pyrimidine
CID 704026
4-[(4-chlorophenyl)methylsulfanyl]-N,N-dimethylpyrido[1,2]thieno[3,4-d]pyrimidin-9-amine
CID 1069463
4-(4-Methylpiperazin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 2100253

Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloro-3-pyridinyl)methyl]-2-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[(6-chloro-3-pyridinyl)methyl]-2-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine (CID 45275186) is 6-[(6-chloro-3-pyridinyl)methyl]-2-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(6-chloro-3-pyridinyl)methyl]-2-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(6-chloro-3-pyridinyl)methyl]-2-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine is Nc1nc(-c2cccc(F)c2)nc2sc(Cc3ccc(Cl)nc3)cc12.
What is the InChIKey of 6-[(6-chloro-3-pyridinyl)methyl]-2-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BRQZGQYCNJGZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4S/c19-15-5-4-10(9-22-15)6-13-8-14-16(21)23-17(24-18(14)25-13)11-2-1-3-12(20)7-11/h1-5,7-9H,6H2,(H2,21,23,24).
What are the key properties of 6-[(6-chloro-3-pyridinyl)methyl]-2-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
6-[(6-chloro-3-pyridinyl)methyl]-2-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 370.84 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-chloro-3-pyridinyl)methyl]-2-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45275186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).