N'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethyl-1-phenylethane-1,2-diamine

C23H31N5OS — CID 18075011

IUPACN'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethyl-1-phenylethane-1,2-diamine
SMILESCc1sc2nc(CN3CCOCC3)nc(NCC(c3ccccc3)N(C)C)c2c1C
InChIInChI=1S/C23H31N5OS/c1-16-17(2)30-23-21(16)22(25-20(26-23)15-28-10-12-29-13-11-28)24-14-19(27(3)4)18-8-6-5-7-9-18/h5-9,19H,10-15H2,1-4H3,(H,24,25,26)
InChIKeyDUTJSYKQCSHATH-UHFFFAOYSA-N
MW425.60 g/mol
LogP3.86
Rot. Bonds7

About N'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethyl-1-phenylethane-1,2-diamine

N'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethyl-1-phenylethane-1,2-diamine (PubChem CID 18075011) has the molecular formula C23H31N5OS and a molecular weight of 425.60 g/mol. Its IUPAC name is N'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethyl-1-phenylethane-1,2-diamine
PubChem CID18075011
Molecular FormulaC23H31N5OS
Molecular Weight425.60 g/mol
Exact Mass425.22
IUPAC NameN'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethyl-1-phenylethane-1,2-diamine
SMILESCc1sc2nc(CN3CCOCC3)nc(NCC(c3ccccc3)N(C)C)c2c1C
InChIInChI=1S/C23H31N5OS/c1-16-17(2)30-23-21(16)22(25-20(26-23)15-28-10-12-29-13-11-28)24-14-19(27(3)4)18-8-6-5-7-9-18/h5-9,19H,10-15H2,1-4H3,(H,24,25,26)
InChIKeyDUTJSYKQCSHATH-UHFFFAOYSA-N
XLogP3.86
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.60
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethyl-1-phenylethane-1,2-diamine?
The IUPAC name of N'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethyl-1-phenylethane-1,2-diamine (CID 18075011) is N'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethyl-1-phenylethane-1,2-diamine is Cc1sc2nc(CN3CCOCC3)nc(NCC(c3ccccc3)N(C)C)c2c1C.
What is the InChIKey of N'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethyl-1-phenylethane-1,2-diamine?
The InChIKey is DUTJSYKQCSHATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5OS/c1-16-17(2)30-23-21(16)22(25-20(26-23)15-28-10-12-29-13-11-28)24-14-19(27(3)4)18-8-6-5-7-9-18/h5-9,19H,10-15H2,1-4H3,(H,24,25,26).
What are the key properties of N'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethyl-1-phenylethane-1,2-diamine?
N'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethyl-1-phenylethane-1,2-diamine has a molecular weight of 425.60 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 18075011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).