4-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]thieno[2,3-d]pyrimidine

C16H17N5O2S — CID 154581116

IUPAC4-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCOc1cnc(OC2CCN(c3ncnc4sccc34)CC2)nc1
InChIInChI=1S/C16H17N5O2S/c1-22-12-8-17-16(18-9-12)23-11-2-5-21(6-3-11)14-13-4-7-24-15(13)20-10-19-14/h4,7-11H,2-3,5-6H2,1H3
InChIKeyPRBWMDYVDDETKG-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.54
Rot. Bonds4

About 4-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]thieno[2,3-d]pyrimidine

4-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 154581116) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID154581116
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name4-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCOc1cnc(OC2CCN(c3ncnc4sccc34)CC2)nc1
InChIInChI=1S/C16H17N5O2S/c1-22-12-8-17-16(18-9-12)23-11-2-5-21(6-3-11)14-13-4-7-24-15(13)20-10-19-14/h4,7-11H,2-3,5-6H2,1H3
InChIKeyPRBWMDYVDDETKG-UHFFFAOYSA-N
XLogP2.54
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]thieno[2,3-d]pyrimidine (CID 154581116) is 4-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]thieno[2,3-d]pyrimidine is COc1cnc(OC2CCN(c3ncnc4sccc34)CC2)nc1.
What is the InChIKey of 4-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is PRBWMDYVDDETKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-22-12-8-17-16(18-9-12)23-11-2-5-21(6-3-11)14-13-4-7-24-15(13)20-10-19-14/h4,7-11H,2-3,5-6H2,1H3.
What are the key properties of 4-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]thieno[2,3-d]pyrimidine?
4-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 343.41 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 154581116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).