N-[1-(2,5-dimethoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine

C16H17N3O2S — CID 42926398

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(OC)c(C(C)Nc2ncnc3ccsc23)c1
InChIInChI=1S/C16H17N3O2S/c1-10(12-8-11(20-2)4-5-14(12)21-3)19-16-15-13(6-7-22-15)17-9-18-16/h4-10H,1-3H3,(H,17,18,19)
InChIKeyCUBMLXHEXQNPRB-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.88
Rot. Bonds5

About N-[1-(2,5-dimethoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine

N-[1-(2,5-dimethoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 42926398) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID42926398
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(OC)c(C(C)Nc2ncnc3ccsc23)c1
InChIInChI=1S/C16H17N3O2S/c1-10(12-8-11(20-2)4-5-14(12)21-3)19-16-15-13(6-7-22-15)17-9-18-16/h4-10H,1-3H3,(H,17,18,19)
InChIKeyCUBMLXHEXQNPRB-UHFFFAOYSA-N
XLogP3.88
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 35790358
N-[1-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 62048196
N-(1-naphthalen-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 17450208
N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride
CID 57422578
N-(1-pyridin-2-ylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 17418978
N-[1-(2,5-dimethoxyphenyl)ethyl]thiadiazol-5-amine
CID 107649577
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 43236191
N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 146142781
(1S)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylethanamine
CID 81393307
(2S)-2-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol
CID 93033856
1-(2,5-dimethoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786252

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine (CID 42926398) is N-[1-(2,5-dimethoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine is COc1ccc(OC)c(C(C)Nc2ncnc3ccsc23)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is CUBMLXHEXQNPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-10(12-8-11(20-2)4-5-14(12)21-3)19-16-15-13(6-7-22-15)17-9-18-16/h4-10H,1-3H3,(H,17,18,19).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
N-[1-(2,5-dimethoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 315.40 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 42926398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).