5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine

C24H28N6OS — CID 16605817

IUPAC5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CN3CCOCC3)nc(NCCc3ccc(-n4cccn4)cc3)c2c1C
InChIInChI=1S/C24H28N6OS/c1-17-18(2)32-24-22(17)23(27-21(28-24)16-29-12-14-31-15-13-29)25-10-8-19-4-6-20(7-5-19)30-11-3-9-26-30/h3-7,9,11H,8,10,12-16H2,1-2H3,(H,25,27,28)
InChIKeyLFNJRNYQTDKSTR-UHFFFAOYSA-N
MW448.60 g/mol
LogP3.98
Rot. Bonds7

About 5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 16605817) has the molecular formula C24H28N6OS and a molecular weight of 448.60 g/mol. Its IUPAC name is 5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID16605817
Molecular FormulaC24H28N6OS
Molecular Weight448.60 g/mol
Exact Mass448.20
IUPAC Name5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CN3CCOCC3)nc(NCCc3ccc(-n4cccn4)cc3)c2c1C
InChIInChI=1S/C24H28N6OS/c1-17-18(2)32-24-22(17)23(27-21(28-24)16-29-12-14-31-15-13-29)25-10-8-19-4-6-20(7-5-19)30-11-3-9-26-30/h3-7,9,11H,8,10,12-16H2,1-2H3,(H,25,27,28)
InChIKeyLFNJRNYQTDKSTR-UHFFFAOYSA-N
XLogP3.98
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.60
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 16605817) is 5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(CN3CCOCC3)nc(NCCc3ccc(-n4cccn4)cc3)c2c1C.
What is the InChIKey of 5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LFNJRNYQTDKSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6OS/c1-17-18(2)32-24-22(17)23(27-21(28-24)16-29-12-14-31-15-13-29)25-10-8-19-4-6-20(7-5-19)30-11-3-9-26-30/h3-7,9,11H,8,10,12-16H2,1-2H3,(H,25,27,28).
What are the key properties of 5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 448.60 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 16605817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).