[1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

C24H27N5O2S — CID 133395933

IUPAC[1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCOCc1nc(N2CCC(C(O)c3nccn3C)CC2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C24H27N5O2S/c1-28-13-10-25-23(28)21(30)17-8-11-29(12-9-17)22-20-18(16-6-4-3-5-7-16)15-32-24(20)27-19(26-22)14-31-2/h3-7,10,13,15,17,21,30H,8-9,11-12,14H2,1-2H3
InChIKeyDVYLSHWGWQGHML-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.19
Rot. Bonds6

About [1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

[1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (PubChem CID 133395933) has the molecular formula C24H27N5O2S and a molecular weight of 449.58 g/mol. Its IUPAC name is [1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name[1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
PubChem CID133395933
Molecular FormulaC24H27N5O2S
Molecular Weight449.58 g/mol
Exact Mass449.19
IUPAC Name[1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCOCc1nc(N2CCC(C(O)c3nccn3C)CC2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C24H27N5O2S/c1-28-13-10-25-23(28)21(30)17-8-11-29(12-9-17)22-20-18(16-6-4-3-5-7-16)15-32-24(20)27-19(26-22)14-31-2/h3-7,10,13,15,17,21,30H,8-9,11-12,14H2,1-2H3
InChIKeyDVYLSHWGWQGHML-UHFFFAOYSA-N
XLogP4.19
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of [1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (CID 133395933) is [1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for [1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for [1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is COCc1nc(N2CCC(C(O)c3nccn3C)CC2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of [1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is DVYLSHWGWQGHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S/c1-28-13-10-25-23(28)21(30)17-8-11-29(12-9-17)22-20-18(16-6-4-3-5-7-16)15-32-24(20)27-19(26-22)14-31-2/h3-7,10,13,15,17,21,30H,8-9,11-12,14H2,1-2H3.
What are the key properties of [1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
[1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 449.58 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 133395933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).