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

C14H12ClN3S — CID 82066171

IUPAC2-chloro-N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(Nc2nc(Cl)nc3sccc23)c1C
InChIInChI=1S/C14H12ClN3S/c1-8-4-3-5-11(9(8)2)16-12-10-6-7-19-13(10)18-14(15)17-12/h3-7H,1-2H3,(H,16,17,18)
InChIKeyMLAVYXURWJKRFF-UHFFFAOYSA-N
MW289.79 g/mol
LogP4.71
Rot. Bonds2

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

2-chloro-N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 82066171) has the molecular formula C14H12ClN3S and a molecular weight of 289.79 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID82066171
Molecular FormulaC14H12ClN3S
Molecular Weight289.79 g/mol
Exact Mass289.04
IUPAC Name2-chloro-N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(Nc2nc(Cl)nc3sccc23)c1C
InChIInChI=1S/C14H12ClN3S/c1-8-4-3-5-11(9(8)2)16-12-10-6-7-19-13(10)18-14(15)17-12/h3-7H,1-2H3,(H,16,17,18)
InChIKeyMLAVYXURWJKRFF-UHFFFAOYSA-N
XLogP4.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(3-chloro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 93214079
N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 8934299
2-chloro-N-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320393
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-(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-(2,5-dibromophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320957
5-bromo-2-chloro-N-(2,3-dimethylphenyl)pyrimidin-4-amine
CID 79075215
4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]phenol
CID 82066162
2-chloro-N-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066169
N-(5-bromo-2-iodophenyl)-2-chlorothieno[2,3-d]pyrimidin-4-amine
CID 114261123

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 82066171) is 2-chloro-N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine is Cc1cccc(Nc2nc(Cl)nc3sccc23)c1C.
What is the InChIKey of 2-chloro-N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MLAVYXURWJKRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3S/c1-8-4-3-5-11(9(8)2)16-12-10-6-7-19-13(10)18-14(15)17-12/h3-7H,1-2H3,(H,16,17,18).
What are the key properties of 2-chloro-N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 289.79 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 82066171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).