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

C14H15N5O2S — CID 45278701

IUPAC6-(morpholin-4-ylmethyl)-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2ncco2)nc2sc(CN3CCOCC3)cc12
InChIInChI=1S/C14H15N5O2S/c15-11-10-7-9(8-19-2-5-20-6-3-19)22-14(10)18-12(17-11)13-16-1-4-21-13/h1,4,7H,2-3,5-6,8H2,(H2,15,17,18)
InChIKeyPHCUNYOPWAHCPX-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.76
Rot. Bonds3

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

6-(morpholin-4-ylmethyl)-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45278701) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is 6-(morpholin-4-ylmethyl)-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(morpholin-4-ylmethyl)-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45278701
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC Name6-(morpholin-4-ylmethyl)-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2ncco2)nc2sc(CN3CCOCC3)cc12
InChIInChI=1S/C14H15N5O2S/c15-11-10-7-9(8-19-2-5-20-6-3-19)22-14(10)18-12(17-11)13-16-1-4-21-13/h1,4,7H,2-3,5-6,8H2,(H2,15,17,18)
InChIKeyPHCUNYOPWAHCPX-UHFFFAOYSA-N
XLogP1.76
TPSA90.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.76
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-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(morpholin-4-ylmethyl)-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 45278701) is 6-(morpholin-4-ylmethyl)-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(morpholin-4-ylmethyl)-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(morpholin-4-ylmethyl)-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-amine is Nc1nc(-c2ncco2)nc2sc(CN3CCOCC3)cc12.
What is the InChIKey of 6-(morpholin-4-ylmethyl)-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PHCUNYOPWAHCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S/c15-11-10-7-9(8-19-2-5-20-6-3-19)22-14(10)18-12(17-11)13-16-1-4-21-13/h1,4,7H,2-3,5-6,8H2,(H2,15,17,18).
What are the key properties of 6-(morpholin-4-ylmethyl)-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
6-(morpholin-4-ylmethyl)-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 317.37 g/mol, XLogP of 1.76, 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-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45278701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).