4-[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl]morpholine

C21H26N6OS — CID 24947792

IUPAC4-[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCN1CCN(Cc2cc3nc(-c4cccnc4)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C21H26N6OS/c1-25-5-7-26(8-6-25)15-17-13-18-19(29-17)21(27-9-11-28-12-10-27)24-20(23-18)16-3-2-4-22-14-16/h2-4,13-14H,5-12,15H2,1H3
InChIKeyPHKGASRBZCIRNM-UHFFFAOYSA-N
MW410.55 g/mol
LogP2.34
Rot. Bonds4

About 4-[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl]morpholine

4-[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 24947792) has the molecular formula C21H26N6OS and a molecular weight of 410.55 g/mol. Its IUPAC name is 4-[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID24947792
Molecular FormulaC21H26N6OS
Molecular Weight410.55 g/mol
Exact Mass410.19
IUPAC Name4-[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCN1CCN(Cc2cc3nc(-c4cccnc4)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C21H26N6OS/c1-25-5-7-26(8-6-25)15-17-13-18-19(29-17)21(27-9-11-28-12-10-27)24-20(23-18)16-3-2-4-22-14-16/h2-4,13-14H,5-12,15H2,1H3
InChIKeyPHKGASRBZCIRNM-UHFFFAOYSA-N
XLogP2.34
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.55
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl]morpholine (CID 24947792) is 4-[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl]morpholine is CN1CCN(Cc2cc3nc(-c4cccnc4)nc(N4CCOCC4)c3s2)CC1.
What is the InChIKey of 4-[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is PHKGASRBZCIRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6OS/c1-25-5-7-26(8-6-25)15-17-13-18-19(29-17)21(27-9-11-28-12-10-27)24-20(23-18)16-3-2-4-22-14-16/h2-4,13-14H,5-12,15H2,1H3.
What are the key properties of 4-[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl]morpholine?
4-[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 410.55 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 24947792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).