[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone

C20H28N4O4S — CID 55451453

IUPAC[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
SMILESCOCc1nc(OC)c2c(C)c(C(=O)N3CCN(CC4CCCO4)CC3)sc2n1
InChIInChI=1S/C20H28N4O4S/c1-13-16-18(27-3)21-15(12-26-2)22-19(16)29-17(13)20(25)24-8-6-23(7-9-24)11-14-5-4-10-28-14/h14H,4-12H2,1-3H3
InChIKeyYRQWFAPJDQGOJR-UHFFFAOYSA-N
MW420.54 g/mol
LogP2.09
Rot. Bonds6

About [4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone

[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 55451453) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is [4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID55451453
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC Name[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
SMILESCOCc1nc(OC)c2c(C)c(C(=O)N3CCN(CC4CCCO4)CC3)sc2n1
InChIInChI=1S/C20H28N4O4S/c1-13-16-18(27-3)21-15(12-26-2)22-19(16)29-17(13)20(25)24-8-6-23(7-9-24)11-14-5-4-10-28-14/h14H,4-12H2,1-3H3
InChIKeyYRQWFAPJDQGOJR-UHFFFAOYSA-N
XLogP2.09
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone (CID 55451453) is [4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone is COCc1nc(OC)c2c(C)c(C(=O)N3CCN(CC4CCCO4)CC3)sc2n1.
What is the InChIKey of [4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is YRQWFAPJDQGOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4S/c1-13-16-18(27-3)21-15(12-26-2)22-19(16)29-17(13)20(25)24-8-6-23(7-9-24)11-14-5-4-10-28-14/h14H,4-12H2,1-3H3.
What are the key properties of [4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 420.54 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55451453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).