6-[3-(1-methylpyrrolidin-3-yl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine

C20H20N6S — CID 10022422

IUPAC6-[3-(1-methylpyrrolidin-3-yl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCN1CCC(n2cnc(-c3ccccc3)c2-c2cc3c(N)ncnc3s2)C1
InChIInChI=1S/C20H20N6S/c1-25-8-7-14(10-25)26-12-24-17(13-5-3-2-4-6-13)18(26)16-9-15-19(21)22-11-23-20(15)27-16/h2-6,9,11-12,14H,7-8,10H2,1H3,(H2,21,22,23)
InChIKeyCPKZCXHVIHQADZ-UHFFFAOYSA-N
MW376.49 g/mol
LogP3.68
Rot. Bonds3

About 6-[3-(1-methylpyrrolidin-3-yl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine

6-[3-(1-methylpyrrolidin-3-yl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 10022422) has the molecular formula C20H20N6S and a molecular weight of 376.49 g/mol. Its IUPAC name is 6-[3-(1-methylpyrrolidin-3-yl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-(1-methylpyrrolidin-3-yl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID10022422
Molecular FormulaC20H20N6S
Molecular Weight376.49 g/mol
Exact Mass376.15
IUPAC Name6-[3-(1-methylpyrrolidin-3-yl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCN1CCC(n2cnc(-c3ccccc3)c2-c2cc3c(N)ncnc3s2)C1
InChIInChI=1S/C20H20N6S/c1-25-8-7-14(10-25)26-12-24-17(13-5-3-2-4-6-13)18(26)16-9-15-19(21)22-11-23-20(15)27-16/h2-6,9,11-12,14H,7-8,10H2,1H3,(H2,21,22,23)
InChIKeyCPKZCXHVIHQADZ-UHFFFAOYSA-N
XLogP3.68
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-methylpyrrolidin-3-yl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[3-(1-methylpyrrolidin-3-yl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine (CID 10022422) is 6-[3-(1-methylpyrrolidin-3-yl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[3-(1-methylpyrrolidin-3-yl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[3-(1-methylpyrrolidin-3-yl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine is CN1CCC(n2cnc(-c3ccccc3)c2-c2cc3c(N)ncnc3s2)C1.
What is the InChIKey of 6-[3-(1-methylpyrrolidin-3-yl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CPKZCXHVIHQADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6S/c1-25-8-7-14(10-25)26-12-24-17(13-5-3-2-4-6-13)18(26)16-9-15-19(21)22-11-23-20(15)27-16/h2-6,9,11-12,14H,7-8,10H2,1H3,(H2,21,22,23).
What are the key properties of 6-[3-(1-methylpyrrolidin-3-yl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine?
6-[3-(1-methylpyrrolidin-3-yl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 376.49 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-methylpyrrolidin-3-yl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10022422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).