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

C17H17N5S — CID 133277326

IUPACN-[1-(1-ethylbenzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCn1c(C(C)Nc2ncnc3sccc23)nc2ccccc21
InChIInChI=1S/C17H17N5S/c1-3-22-14-7-5-4-6-13(14)21-16(22)11(2)20-15-12-8-9-23-17(12)19-10-18-15/h4-11H,3H2,1-2H3,(H,18,19,20)
InChIKeyQZOBPBGZJAJDBL-UHFFFAOYSA-N
MW323.43 g/mol
LogP4.23
Rot. Bonds4

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

N-[1-(1-ethylbenzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133277326) has the molecular formula C17H17N5S and a molecular weight of 323.43 g/mol. Its IUPAC name is N-[1-(1-ethylbenzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(1-ethylbenzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID133277326
Molecular FormulaC17H17N5S
Molecular Weight323.43 g/mol
Exact Mass323.12
IUPAC NameN-[1-(1-ethylbenzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCn1c(C(C)Nc2ncnc3sccc23)nc2ccccc21
InChIInChI=1S/C17H17N5S/c1-3-22-14-7-5-4-6-13(14)21-16(22)11(2)20-15-12-8-9-23-17(12)19-10-18-15/h4-11H,3H2,1-2H3,(H,18,19,20)
InChIKeyQZOBPBGZJAJDBL-UHFFFAOYSA-N
XLogP4.23
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine
CID 139001898
ethyl 4-[1-(1-ethylbenzimidazol-2-yl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133277331
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 97184836
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 133277335
N-[(1S)-1-(4-aminophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 155460392
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427
N-[(1S)-1-(furan-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 9031350
N-[1-(2-methylphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 67605109
N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 7025686
N-[(1S)-1-(4-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 155460692
N-hexan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 13038322
N-[1-(4-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 13038313

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylbenzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(1-ethylbenzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 133277326) is N-[1-(1-ethylbenzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(1-ethylbenzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(1-ethylbenzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is CCn1c(C(C)Nc2ncnc3sccc23)nc2ccccc21.
What is the InChIKey of N-[1-(1-ethylbenzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QZOBPBGZJAJDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5S/c1-3-22-14-7-5-4-6-13(14)21-16(22)11(2)20-15-12-8-9-23-17(12)19-10-18-15/h4-11H,3H2,1-2H3,(H,18,19,20).
What are the key properties of N-[1-(1-ethylbenzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 323.43 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylbenzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133277326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).