5,6-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine

C19H28N4OS — CID 2547028

IUPAC5,6-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCC3(N4CCOCC4)CCCCC3)c2c1C
InChIInChI=1S/C19H28N4OS/c1-14-15(2)25-18-16(14)17(21-13-22-18)20-12-19(6-4-3-5-7-19)23-8-10-24-11-9-23/h13H,3-12H2,1-2H3,(H,20,21,22)
InChIKeyUPRSPGFGKCPQMK-UHFFFAOYSA-N
MW360.53 g/mol
LogP3.76
Rot. Bonds4

About 5,6-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 2547028) has the molecular formula C19H28N4OS and a molecular weight of 360.53 g/mol. Its IUPAC name is 5,6-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID2547028
Molecular FormulaC19H28N4OS
Molecular Weight360.53 g/mol
Exact Mass360.20
IUPAC Name5,6-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCC3(N4CCOCC4)CCCCC3)c2c1C
InChIInChI=1S/C19H28N4OS/c1-14-15(2)25-18-16(14)17(21-13-22-18)20-12-19(6-4-3-5-7-19)23-8-10-24-11-9-23/h13H,3-12H2,1-2H3,(H,20,21,22)
InChIKeyUPRSPGFGKCPQMK-UHFFFAOYSA-N
XLogP3.76
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 2547028) is 5,6-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(NCC3(N4CCOCC4)CCCCC3)c2c1C.
What is the InChIKey of 5,6-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is UPRSPGFGKCPQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4OS/c1-14-15(2)25-18-16(14)17(21-13-22-18)20-12-19(6-4-3-5-7-19)23-8-10-24-11-9-23/h13H,3-12H2,1-2H3,(H,20,21,22).
What are the key properties of 5,6-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 360.53 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2547028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).