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

C14H13N3S — CID 2378650

IUPACN-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(Nc2ncnc3sccc23)c(C)c1
InChIInChI=1S/C14H13N3S/c1-9-3-4-12(10(2)7-9)17-13-11-5-6-18-14(11)16-8-15-13/h3-8H,1-2H3,(H,15,16,17)
InChIKeyRQBPAHFMXFIYHG-UHFFFAOYSA-N
MW255.35 g/mol
LogP4.05
Rot. Bonds2

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

N-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 2378650) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID2378650
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC NameN-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(Nc2ncnc3sccc23)c(C)c1
InChIInChI=1S/C14H13N3S/c1-9-3-4-12(10(2)7-9)17-13-11-5-6-18-14(11)16-8-15-13/h3-8H,1-2H3,(H,15,16,17)
InChIKeyRQBPAHFMXFIYHG-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

1-[4-(4-Aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-methylphenyl)urea
CID 6539985
4-Benzyl-1-(thieno(2,3-d)pyrimidin-4-yl)piperidine
CID 2100018
2-Phenylthieno(2,3-d)pyrimidin-4-amine
CID 62188326
N-(3-bromophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2103474
3-(4-{4-Amino-6-methylthieno[2,3-d]pyrimidin-5-yl}phenyl)-1-phenylurea
CID 6539971
Thienopyrimidine deriv. 11
CID 6539972
Thienopyrimidine deriv. 72
CID 6539979
3-(4-{4-Amino-6-methylthieno[2,3-d]pyrimidin-5-yl}phenyl)-1-benzylurea
CID 6539981
Thienopyrimidine deriv. 74
CID 6539983
Thienopyrimidine deriv. 75
CID 6539984
Urea, N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-N'-butyl-
CID 6539986
Thienopyrimidine deriv. 10
CID 6539988

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 2378650) is N-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine is Cc1ccc(Nc2ncnc3sccc23)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RQBPAHFMXFIYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-9-3-4-12(10(2)7-9)17-13-11-5-6-18-14(11)16-8-15-13/h3-8H,1-2H3,(H,15,16,17).
What are the key properties of N-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine?
N-(2,4-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-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2378650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).