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

C14H13N3S — CID 8934299

IUPACN-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(Nc2ncnc3sccc23)c1C
InChIInChI=1S/C14H13N3S/c1-9-4-3-5-12(10(9)2)17-13-11-6-7-18-14(11)16-8-15-13/h3-8H,1-2H3,(H,15,16,17)
InChIKeyKGHSIYXIFYJADT-UHFFFAOYSA-N
MW255.35 g/mol
LogP4.05
Rot. Bonds2

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

N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 8934299) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID8934299
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC NameN-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(Nc2ncnc3sccc23)c1C
InChIInChI=1S/C14H13N3S/c1-9-4-3-5-12(10(9)2)17-13-11-6-7-18-14(11)16-8-15-13/h3-8H,1-2H3,(H,15,16,17)
InChIKeyKGHSIYXIFYJADT-UHFFFAOYSA-N
XLogP4.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 54.05
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
N-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2538570
N-(2-fluoro-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 9441357
N-(4-chloro-2-methoxy-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2402575
1-N-cyclohexyl-2-N-thieno[2,3-d]pyrimidin-4-ylbenzene-1,2-diamine
CID 68791212
4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19137100
[2-(2,3-dimethylanilino)phenyl]-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 112815437
4-N-(2,3-dimethylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80751666
4-(2,3-dimethylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28855419
N-(2-cyclohexyloxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 15985997
2-N-(2,3-dimethylphenyl)-5-methylpyridine-2,3-diamine
CID 66280393
6-N-(2,3-dimethylphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine
CID 19143129

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 8934299) is N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine is Cc1cccc(Nc2ncnc3sccc23)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KGHSIYXIFYJADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-9-4-3-5-12(10(9)2)17-13-11-6-7-18-14(11)16-8-15-13/h3-8H,1-2H3,(H,15,16,17).
What are the key properties of N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine?
N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 255.35 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 8934299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).