4-[2-methyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine

C19H23N7OS — CID 155981619

IUPAC4-[2-methyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
SMILESCc1nc(N2CCOCC2)cc(N2CCN(c3ncnc4ccsc34)CC2)n1
InChIInChI=1S/C19H23N7OS/c1-14-22-16(12-17(23-14)25-7-9-27-10-8-25)24-3-5-26(6-4-24)19-18-15(2-11-28-18)20-13-21-19/h2,11-13H,3-10H2,1H3
InChIKeyIQUMMINHPTWHSE-UHFFFAOYSA-N
MW397.51 g/mol
LogP1.95
Rot. Bonds3

About 4-[2-methyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine

4-[2-methyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine (PubChem CID 155981619) has the molecular formula C19H23N7OS and a molecular weight of 397.51 g/mol. Its IUPAC name is 4-[2-methyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
PubChem CID155981619
Molecular FormulaC19H23N7OS
Molecular Weight397.51 g/mol
Exact Mass397.17
IUPAC Name4-[2-methyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
SMILESCc1nc(N2CCOCC2)cc(N2CCN(c3ncnc4ccsc34)CC2)n1
InChIInChI=1S/C19H23N7OS/c1-14-22-16(12-17(23-14)25-7-9-27-10-8-25)24-3-5-26(6-4-24)19-18-15(2-11-28-18)20-13-21-19/h2,11-13H,3-10H2,1H3
InChIKeyIQUMMINHPTWHSE-UHFFFAOYSA-N
XLogP1.95
TPSA70.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.51
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-methyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine (CID 155981619) is 4-[2-methyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-methyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-methyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine is Cc1nc(N2CCOCC2)cc(N2CCN(c3ncnc4ccsc34)CC2)n1.
What is the InChIKey of 4-[2-methyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine?
The InChIKey is IQUMMINHPTWHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7OS/c1-14-22-16(12-17(23-14)25-7-9-27-10-8-25)24-3-5-26(6-4-24)19-18-15(2-11-28-18)20-13-21-19/h2,11-13H,3-10H2,1H3.
What are the key properties of 4-[2-methyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine?
4-[2-methyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine has a molecular weight of 397.51 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 155981619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).