6-(morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine

C14H15N5OS2 — CID 45279451

IUPAC6-(morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2nccs2)nc2sc(CN3CCOCC3)cc12
InChIInChI=1S/C14H15N5OS2/c15-11-10-7-9(8-19-2-4-20-5-3-19)22-13(10)18-12(17-11)14-16-1-6-21-14/h1,6-7H,2-5,8H2,(H2,15,17,18)
InChIKeyIHXNUNBVWZQVOL-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.23
Rot. Bonds3

About 6-(morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine

6-(morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45279451) has the molecular formula C14H15N5OS2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 6-(morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45279451
Molecular FormulaC14H15N5OS2
Molecular Weight333.44 g/mol
Exact Mass333.07
IUPAC Name6-(morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2nccs2)nc2sc(CN3CCOCC3)cc12
InChIInChI=1S/C14H15N5OS2/c15-11-10-7-9(8-19-2-4-20-5-3-19)22-13(10)18-12(17-11)14-16-1-6-21-14/h1,6-7H,2-5,8H2,(H2,15,17,18)
InChIKeyIHXNUNBVWZQVOL-UHFFFAOYSA-N
XLogP2.23
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 45279451) is 6-(morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine is Nc1nc(-c2nccs2)nc2sc(CN3CCOCC3)cc12.
What is the InChIKey of 6-(morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IHXNUNBVWZQVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS2/c15-11-10-7-9(8-19-2-4-20-5-3-19)22-13(10)18-12(17-11)14-16-1-6-21-14/h1,6-7H,2-5,8H2,(H2,15,17,18).
What are the key properties of 6-(morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
6-(morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 333.44 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45279451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).