2-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine

C18H17N5O3S — CID 172791028

IUPAC2-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(-n2cnc(-c3nc(N)c4ccsc4n3)c2)cc(OC)c1OC
InChIInChI=1S/C18H17N5O3S/c1-24-13-6-10(7-14(25-2)15(13)26-3)23-8-12(20-9-23)17-21-16(19)11-4-5-27-18(11)22-17/h4-9H,1-3H3,(H2,19,21,22)
InChIKeyPOMAUTNEPLGWSO-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.15
Rot. Bonds5

About 2-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine

2-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 172791028) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is 2-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID172791028
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC Name2-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(-n2cnc(-c3nc(N)c4ccsc4n3)c2)cc(OC)c1OC
InChIInChI=1S/C18H17N5O3S/c1-24-13-6-10(7-14(25-2)15(13)26-3)23-8-12(20-9-23)17-21-16(19)11-4-5-27-18(11)22-17/h4-9H,1-3H3,(H2,19,21,22)
InChIKeyPOMAUTNEPLGWSO-UHFFFAOYSA-N
XLogP3.15
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-methyl-1-(3,4,5-trimethoxyphenyl)imidazole
CID 147782659
2-N,2-N-bis[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]naphthalene-2,7-diamine
CID 175784810
1-(3,4-dimethoxy-5-propan-2-ylphenyl)imidazol-4-amine
CID 163422541
2-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[3,2-d]pyrimidin-4-amine;hydrochloride
CID 170775798
N-(2,4-diaminoquinazolin-6-yl)-3,4,5-trimethoxybenzamide
CID 56690013
2-[(2,4,6-trimethylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62188361
5-(3,4,5-trimethoxyphenoxy)pyrimidine-2,4-diamine
CID 626130
4-methoxythieno[2,3-b]pyridin-5-amine
CID 84657451
2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 59276706
7-fluoro-2-(3-methoxythiophen-2-yl)quinazolin-4-amine
CID 81129099
N-bromo-1-(3,4-dimethoxy-5-methylphenyl)imidazol-4-amine
CID 163513532
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 39012999

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine (CID 172791028) is 2-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine is COc1cc(-n2cnc(-c3nc(N)c4ccsc4n3)c2)cc(OC)c1OC.
What is the InChIKey of 2-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is POMAUTNEPLGWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c1-24-13-6-10(7-14(25-2)15(13)26-3)23-8-12(20-9-23)17-21-16(19)11-4-5-27-18(11)22-17/h4-9H,1-3H3,(H2,19,21,22).
What are the key properties of 2-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine?
2-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 383.43 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 172791028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).