2-chloro-N-(3,5-dichloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine

C12H5Cl3FN3S — CID 107576856

IUPAC2-chloro-N-(3,5-dichloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFc1c(Cl)cc(Nc2nc(Cl)nc3sccc23)cc1Cl
InChIInChI=1S/C12H5Cl3FN3S/c13-7-3-5(4-8(14)9(7)16)17-10-6-1-2-20-11(6)19-12(15)18-10/h1-4H,(H,17,18,19)
InChIKeyUPVNNCPXGDXUSN-UHFFFAOYSA-N
MW348.62 g/mol
LogP5.53
Rot. Bonds2

About 2-chloro-N-(3,5-dichloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine

2-chloro-N-(3,5-dichloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 107576856) has the molecular formula C12H5Cl3FN3S and a molecular weight of 348.62 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dichloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3,5-dichloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID107576856
Molecular FormulaC12H5Cl3FN3S
Molecular Weight348.62 g/mol
Exact Mass346.93
IUPAC Name2-chloro-N-(3,5-dichloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFc1c(Cl)cc(Nc2nc(Cl)nc3sccc23)cc1Cl
InChIInChI=1S/C12H5Cl3FN3S/c13-7-3-5(4-8(14)9(7)16)17-10-6-1-2-20-11(6)19-12(15)18-10/h1-4H,(H,17,18,19)
InChIKeyUPVNNCPXGDXUSN-UHFFFAOYSA-N
XLogP5.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.62
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066169
2-chloro-N-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320380
2-chloro-N-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066220
4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]phenol
CID 82066162
2-chloro-N-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320393
2-chloro-N-(3,5-dichloro-4-fluorophenyl)quinazolin-4-amine
CID 107576871
N-(3-bromo-5-methoxyphenyl)-2-chlorothieno[2,3-d]pyrimidin-4-amine
CID 103322284
2-chloro-N-(2,5-dibromophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320957
5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxybenzoic acid
CID 93214091
2-chloro-N-(3-chloro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 93214079
methyl 3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]benzoate
CID 93214104
N-[(2-bromo-5-fluorophenyl)methyl]-2-chlorothieno[2,3-d]pyrimidin-4-amine
CID 106193585

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dichloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(3,5-dichloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine (CID 107576856) is 2-chloro-N-(3,5-dichloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(3,5-dichloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(3,5-dichloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine is Fc1c(Cl)cc(Nc2nc(Cl)nc3sccc23)cc1Cl.
What is the InChIKey of 2-chloro-N-(3,5-dichloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is UPVNNCPXGDXUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3FN3S/c13-7-3-5(4-8(14)9(7)16)17-10-6-1-2-20-11(6)19-12(15)18-10/h1-4H,(H,17,18,19).
What are the key properties of 2-chloro-N-(3,5-dichloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-(3,5-dichloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 348.62 g/mol, XLogP of 5.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dichloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 107576856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).