4-[2-chloro-6-(1-piperidin-4-ylideneethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine

C17H21ClN4OS — CID 87302450

IUPAC4-[2-chloro-6-(1-piperidin-4-ylideneethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCC(=C1CCNCC1)c1cc2nc(Cl)nc(N3CCOCC3)c2s1
InChIInChI=1S/C17H21ClN4OS/c1-11(12-2-4-19-5-3-12)14-10-13-15(24-14)16(21-17(18)20-13)22-6-8-23-9-7-22/h10,19H,2-9H2,1H3
InChIKeyNKVBQSWNCTWDSR-UHFFFAOYSA-N
MW364.90 g/mol
LogP3.34
Rot. Bonds2

About 4-[2-chloro-6-(1-piperidin-4-ylideneethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine

4-[2-chloro-6-(1-piperidin-4-ylideneethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 87302450) has the molecular formula C17H21ClN4OS and a molecular weight of 364.90 g/mol. Its IUPAC name is 4-[2-chloro-6-(1-piperidin-4-ylideneethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-chloro-6-(1-piperidin-4-ylideneethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID87302450
Molecular FormulaC17H21ClN4OS
Molecular Weight364.90 g/mol
Exact Mass364.11
IUPAC Name4-[2-chloro-6-(1-piperidin-4-ylideneethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCC(=C1CCNCC1)c1cc2nc(Cl)nc(N3CCOCC3)c2s1
InChIInChI=1S/C17H21ClN4OS/c1-11(12-2-4-19-5-3-12)14-10-13-15(24-14)16(21-17(18)20-13)22-6-8-23-9-7-22/h10,19H,2-9H2,1H3
InChIKeyNKVBQSWNCTWDSR-UHFFFAOYSA-N
XLogP3.34
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-6-(1-piperidin-4-ylideneethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-chloro-6-(1-piperidin-4-ylideneethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine (CID 87302450) is 4-[2-chloro-6-(1-piperidin-4-ylideneethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-chloro-6-(1-piperidin-4-ylideneethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-chloro-6-(1-piperidin-4-ylideneethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine is CC(=C1CCNCC1)c1cc2nc(Cl)nc(N3CCOCC3)c2s1.
What is the InChIKey of 4-[2-chloro-6-(1-piperidin-4-ylideneethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is NKVBQSWNCTWDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4OS/c1-11(12-2-4-19-5-3-12)14-10-13-15(24-14)16(21-17(18)20-13)22-6-8-23-9-7-22/h10,19H,2-9H2,1H3.
What are the key properties of 4-[2-chloro-6-(1-piperidin-4-ylideneethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-chloro-6-(1-piperidin-4-ylideneethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 364.90 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-6-(1-piperidin-4-ylideneethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 87302450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).