2,6-dimethyl-4-[4-morpholin-4-yl-6-(1H-pyrazol-5-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine

C19H24N6O2S — CID 141451693

IUPAC2,6-dimethyl-4-[4-morpholin-4-yl-6-(1H-pyrazol-5-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine
SMILESCC1CN(c2nc(N3CCOCC3)c3sc(-c4ccn[nH]4)cc3n2)CC(C)O1
InChIInChI=1S/C19H24N6O2S/c1-12-10-25(11-13(2)27-12)19-21-15-9-16(14-3-4-20-23-14)28-17(15)18(22-19)24-5-7-26-8-6-24/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,20,23)
InChIKeyCCDCSUFMDNCKDI-UHFFFAOYSA-N
MW400.51 g/mol
LogP2.53
Rot. Bonds3

About 2,6-dimethyl-4-[4-morpholin-4-yl-6-(1H-pyrazol-5-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine

2,6-dimethyl-4-[4-morpholin-4-yl-6-(1H-pyrazol-5-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine (PubChem CID 141451693) has the molecular formula C19H24N6O2S and a molecular weight of 400.51 g/mol. Its IUPAC name is 2,6-dimethyl-4-[4-morpholin-4-yl-6-(1H-pyrazol-5-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[4-morpholin-4-yl-6-(1H-pyrazol-5-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine
PubChem CID141451693
Molecular FormulaC19H24N6O2S
Molecular Weight400.51 g/mol
Exact Mass400.17
IUPAC Name2,6-dimethyl-4-[4-morpholin-4-yl-6-(1H-pyrazol-5-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine
SMILESCC1CN(c2nc(N3CCOCC3)c3sc(-c4ccn[nH]4)cc3n2)CC(C)O1
InChIInChI=1S/C19H24N6O2S/c1-12-10-25(11-13(2)27-12)19-21-15-9-16(14-3-4-20-23-14)28-17(15)18(22-19)24-5-7-26-8-6-24/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,20,23)
InChIKeyCCDCSUFMDNCKDI-UHFFFAOYSA-N
XLogP2.53
TPSA79.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[4-morpholin-4-yl-6-(1H-pyrazol-5-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[4-morpholin-4-yl-6-(1H-pyrazol-5-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine (CID 141451693) is 2,6-dimethyl-4-[4-morpholin-4-yl-6-(1H-pyrazol-5-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[4-morpholin-4-yl-6-(1H-pyrazol-5-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[4-morpholin-4-yl-6-(1H-pyrazol-5-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine is CC1CN(c2nc(N3CCOCC3)c3sc(-c4ccn[nH]4)cc3n2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-[4-morpholin-4-yl-6-(1H-pyrazol-5-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine?
The InChIKey is CCDCSUFMDNCKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2S/c1-12-10-25(11-13(2)27-12)19-21-15-9-16(14-3-4-20-23-14)28-17(15)18(22-19)24-5-7-26-8-6-24/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,20,23).
What are the key properties of 2,6-dimethyl-4-[4-morpholin-4-yl-6-(1H-pyrazol-5-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine?
2,6-dimethyl-4-[4-morpholin-4-yl-6-(1H-pyrazol-5-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine has a molecular weight of 400.51 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[4-morpholin-4-yl-6-(1H-pyrazol-5-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 141451693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).