4-[4-[methoxy-(1-methylpyrrolidin-2-yl)methyl]piperidin-1-yl]-5-phenylthieno[2,3-d]pyrimidine

C24H30N4OS — CID 71572247

IUPAC4-[4-[methoxy-(1-methylpyrrolidin-2-yl)methyl]piperidin-1-yl]-5-phenylthieno[2,3-d]pyrimidine
SMILESCOC(C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)C1CCCN1C
InChIInChI=1S/C24H30N4OS/c1-27-12-6-9-20(27)22(29-2)18-10-13-28(14-11-18)23-21-19(17-7-4-3-5-8-17)15-30-24(21)26-16-25-23/h3-5,7-8,15-16,18,20,22H,6,9-14H2,1-2H3
InChIKeyDNTTVASNLYWRSO-UHFFFAOYSA-N
MW422.60 g/mol
LogP4.68
Rot. Bonds5

About 4-[4-[methoxy-(1-methylpyrrolidin-2-yl)methyl]piperidin-1-yl]-5-phenylthieno[2,3-d]pyrimidine

4-[4-[methoxy-(1-methylpyrrolidin-2-yl)methyl]piperidin-1-yl]-5-phenylthieno[2,3-d]pyrimidine (PubChem CID 71572247) has the molecular formula C24H30N4OS and a molecular weight of 422.60 g/mol. Its IUPAC name is 4-[4-[methoxy-(1-methylpyrrolidin-2-yl)methyl]piperidin-1-yl]-5-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[methoxy-(1-methylpyrrolidin-2-yl)methyl]piperidin-1-yl]-5-phenylthieno[2,3-d]pyrimidine
PubChem CID71572247
Molecular FormulaC24H30N4OS
Molecular Weight422.60 g/mol
Exact Mass422.21
IUPAC Name4-[4-[methoxy-(1-methylpyrrolidin-2-yl)methyl]piperidin-1-yl]-5-phenylthieno[2,3-d]pyrimidine
SMILESCOC(C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)C1CCCN1C
InChIInChI=1S/C24H30N4OS/c1-27-12-6-9-20(27)22(29-2)18-10-13-28(14-11-18)23-21-19(17-7-4-3-5-8-17)15-30-24(21)26-16-25-23/h3-5,7-8,15-16,18,20,22H,6,9-14H2,1-2H3
InChIKeyDNTTVASNLYWRSO-UHFFFAOYSA-N
XLogP4.68
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.60
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[methoxy-(1-methylpyrrolidin-2-yl)methyl]piperidin-1-yl]-5-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-[methoxy-(1-methylpyrrolidin-2-yl)methyl]piperidin-1-yl]-5-phenylthieno[2,3-d]pyrimidine (CID 71572247) is 4-[4-[methoxy-(1-methylpyrrolidin-2-yl)methyl]piperidin-1-yl]-5-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-[methoxy-(1-methylpyrrolidin-2-yl)methyl]piperidin-1-yl]-5-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-[methoxy-(1-methylpyrrolidin-2-yl)methyl]piperidin-1-yl]-5-phenylthieno[2,3-d]pyrimidine is COC(C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)C1CCCN1C.
What is the InChIKey of 4-[4-[methoxy-(1-methylpyrrolidin-2-yl)methyl]piperidin-1-yl]-5-phenylthieno[2,3-d]pyrimidine?
The InChIKey is DNTTVASNLYWRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4OS/c1-27-12-6-9-20(27)22(29-2)18-10-13-28(14-11-18)23-21-19(17-7-4-3-5-8-17)15-30-24(21)26-16-25-23/h3-5,7-8,15-16,18,20,22H,6,9-14H2,1-2H3.
What are the key properties of 4-[4-[methoxy-(1-methylpyrrolidin-2-yl)methyl]piperidin-1-yl]-5-phenylthieno[2,3-d]pyrimidine?
4-[4-[methoxy-(1-methylpyrrolidin-2-yl)methyl]piperidin-1-yl]-5-phenylthieno[2,3-d]pyrimidine has a molecular weight of 422.60 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[methoxy-(1-methylpyrrolidin-2-yl)methyl]piperidin-1-yl]-5-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 71572247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).