2-(1H-indazol-4-yl)-6-(methoxymethyl)-4-thieno[3,2-d]pyrimidin-2-ylmorpholine

C19H19N5O2S — CID 67189672

IUPAC2-(1H-indazol-4-yl)-6-(methoxymethyl)-4-thieno[3,2-d]pyrimidin-2-ylmorpholine
SMILESCOCC1CN(c2ncc3sccc3n2)CC(c2cccc3[nH]ncc23)O1
InChIInChI=1S/C19H19N5O2S/c1-25-11-12-9-24(19-20-8-18-16(22-19)5-6-27-18)10-17(26-12)13-3-2-4-15-14(13)7-21-23-15/h2-8,12,17H,9-11H2,1H3,(H,21,23)
InChIKeyAUUXKZWUDTWZCL-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.16
Rot. Bonds4

About 2-(1H-indazol-4-yl)-6-(methoxymethyl)-4-thieno[3,2-d]pyrimidin-2-ylmorpholine

2-(1H-indazol-4-yl)-6-(methoxymethyl)-4-thieno[3,2-d]pyrimidin-2-ylmorpholine (PubChem CID 67189672) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-(1H-indazol-4-yl)-6-(methoxymethyl)-4-thieno[3,2-d]pyrimidin-2-ylmorpholine.

Molecular Properties

Compound Name2-(1H-indazol-4-yl)-6-(methoxymethyl)-4-thieno[3,2-d]pyrimidin-2-ylmorpholine
PubChem CID67189672
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name2-(1H-indazol-4-yl)-6-(methoxymethyl)-4-thieno[3,2-d]pyrimidin-2-ylmorpholine
SMILESCOCC1CN(c2ncc3sccc3n2)CC(c2cccc3[nH]ncc23)O1
InChIInChI=1S/C19H19N5O2S/c1-25-11-12-9-24(19-20-8-18-16(22-19)5-6-27-18)10-17(26-12)13-3-2-4-15-14(13)7-21-23-15/h2-8,12,17H,9-11H2,1H3,(H,21,23)
InChIKeyAUUXKZWUDTWZCL-UHFFFAOYSA-N
XLogP3.16
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-4-yl)-6-(methoxymethyl)-4-thieno[3,2-d]pyrimidin-2-ylmorpholine?
The IUPAC name of 2-(1H-indazol-4-yl)-6-(methoxymethyl)-4-thieno[3,2-d]pyrimidin-2-ylmorpholine (CID 67189672) is 2-(1H-indazol-4-yl)-6-(methoxymethyl)-4-thieno[3,2-d]pyrimidin-2-ylmorpholine.
What is the SMILES notation for 2-(1H-indazol-4-yl)-6-(methoxymethyl)-4-thieno[3,2-d]pyrimidin-2-ylmorpholine?
The canonical SMILES for 2-(1H-indazol-4-yl)-6-(methoxymethyl)-4-thieno[3,2-d]pyrimidin-2-ylmorpholine is COCC1CN(c2ncc3sccc3n2)CC(c2cccc3[nH]ncc23)O1.
What is the InChIKey of 2-(1H-indazol-4-yl)-6-(methoxymethyl)-4-thieno[3,2-d]pyrimidin-2-ylmorpholine?
The InChIKey is AUUXKZWUDTWZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-25-11-12-9-24(19-20-8-18-16(22-19)5-6-27-18)10-17(26-12)13-3-2-4-15-14(13)7-21-23-15/h2-8,12,17H,9-11H2,1H3,(H,21,23).
What are the key properties of 2-(1H-indazol-4-yl)-6-(methoxymethyl)-4-thieno[3,2-d]pyrimidin-2-ylmorpholine?
2-(1H-indazol-4-yl)-6-(methoxymethyl)-4-thieno[3,2-d]pyrimidin-2-ylmorpholine has a molecular weight of 381.46 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-4-yl)-6-(methoxymethyl)-4-thieno[3,2-d]pyrimidin-2-ylmorpholine is sourced from PubChem (CID 67189672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).