2-chloro-N-[2-(difluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine

C13H8ClF2N3OS — CID 103320319

IUPAC2-chloro-N-[2-(difluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)Oc1ccccc1Nc1nc(Cl)nc2sccc12
InChIInChI=1S/C13H8ClF2N3OS/c14-12-18-10(7-5-6-21-11(7)19-12)17-8-3-1-2-4-9(8)20-13(15)16/h1-6,13H,(H,17,18,19)
InChIKeyHWNNUGKXMQOLCF-UHFFFAOYSA-N
MW327.74 g/mol
LogP4.69
Rot. Bonds4

About 2-chloro-N-[2-(difluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine

2-chloro-N-[2-(difluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103320319) has the molecular formula C13H8ClF2N3OS and a molecular weight of 327.74 g/mol. Its IUPAC name is 2-chloro-N-[2-(difluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(difluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID103320319
Molecular FormulaC13H8ClF2N3OS
Molecular Weight327.74 g/mol
Exact Mass327.00
IUPAC Name2-chloro-N-[2-(difluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)Oc1ccccc1Nc1nc(Cl)nc2sccc12
InChIInChI=1S/C13H8ClF2N3OS/c14-12-18-10(7-5-6-21-11(7)19-12)17-8-3-1-2-4-9(8)20-13(15)16/h1-6,13H,(H,17,18,19)
InChIKeyHWNNUGKXMQOLCF-UHFFFAOYSA-N
XLogP4.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.74
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]phenyl]carbamic acid
CID 155415470
2-chloro-N-(3-chloro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 93214079
2-chloro-N-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320393
2-chloro-N-(2,5-dibromophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320957
2-chloro-N-(3,5-dichloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 107576856
2-chloro-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine
CID 62336208
2-chloro-N-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066169
4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]phenol
CID 82066162
2-chloro-N-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320380
N-(5-bromo-2-iodophenyl)-2-chlorothieno[2,3-d]pyrimidin-4-amine
CID 114261123
6-chloro-N-[2-(difluoromethoxy)phenyl]-3-nitropyridin-2-amine
CID 43330241
N-(3-bromo-5-methoxyphenyl)-2-chlorothieno[2,3-d]pyrimidin-4-amine
CID 103322284

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(difluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[2-(difluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine (CID 103320319) is 2-chloro-N-[2-(difluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[2-(difluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[2-(difluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine is FC(F)Oc1ccccc1Nc1nc(Cl)nc2sccc12.
What is the InChIKey of 2-chloro-N-[2-(difluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HWNNUGKXMQOLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2N3OS/c14-12-18-10(7-5-6-21-11(7)19-12)17-8-3-1-2-4-9(8)20-13(15)16/h1-6,13H,(H,17,18,19).
What are the key properties of 2-chloro-N-[2-(difluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-[2-(difluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 327.74 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(difluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103320319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).