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

C13H9Cl2N3S — CID 93214079

IUPAC2-chloro-N-(3-chloro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1c(Cl)cccc1Nc1nc(Cl)nc2sccc12
InChIInChI=1S/C13H9Cl2N3S/c1-7-9(14)3-2-4-10(7)16-11-8-5-6-19-12(8)18-13(15)17-11/h2-6H,1H3,(H,16,17,18)
InChIKeySUABAVKGQWDBGF-UHFFFAOYSA-N
MW310.21 g/mol
LogP5.05
Rot. Bonds2

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

2-chloro-N-(3-chloro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 93214079) has the molecular formula C13H9Cl2N3S and a molecular weight of 310.21 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID93214079
Molecular FormulaC13H9Cl2N3S
Molecular Weight310.21 g/mol
Exact Mass308.99
IUPAC Name2-chloro-N-(3-chloro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1c(Cl)cccc1Nc1nc(Cl)nc2sccc12
InChIInChI=1S/C13H9Cl2N3S/c1-7-9(14)3-2-4-10(7)16-11-8-5-6-19-12(8)18-13(15)17-11/h2-6H,1H3,(H,16,17,18)
InChIKeySUABAVKGQWDBGF-UHFFFAOYSA-N
XLogP5.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.21
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066171
4-N-(3-chloro-2-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323534
[2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]phenyl]carbamic acid
CID 155415470
2-chloro-N-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320393
2-chloro-N-(3-chloro-2-methylphenyl)-5-methylpyrimidin-4-amine
CID 79075964
2-chloro-N-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066220
2-chloro-N-[2-(difluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320319
2-chloro-N-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066169
2-chloro-N-(2,5-dibromophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320957
4-N-(2-bromo-3-chlorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103481983
N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylquinazolin-4-amine
CID 91964379
2-chloro-N-(3,5-dichloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 107576856

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(3-chloro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 93214079) is 2-chloro-N-(3-chloro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(3-chloro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(3-chloro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine is Cc1c(Cl)cccc1Nc1nc(Cl)nc2sccc12.
What is the InChIKey of 2-chloro-N-(3-chloro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is SUABAVKGQWDBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3S/c1-7-9(14)3-2-4-10(7)16-11-8-5-6-19-12(8)18-13(15)17-11/h2-6H,1H3,(H,16,17,18).
What are the key properties of 2-chloro-N-(3-chloro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-(3-chloro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 310.21 g/mol, XLogP of 5.05, 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-chloro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 93214079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).