3-[6-[(dimethylamino)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol

C19H22N4O2S — CID 25023741

IUPAC3-[6-[(dimethylamino)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
SMILESCN(C)Cc1cc2nc(-c3cccc(O)c3)nc(N3CCOCC3)c2s1
InChIInChI=1S/C19H22N4O2S/c1-22(2)12-15-11-16-17(26-15)19(23-6-8-25-9-7-23)21-18(20-16)13-4-3-5-14(24)10-13/h3-5,10-11,24H,6-9,12H2,1-2H3
InChIKeyVHSCMHRRZRZLFR-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.96
Rot. Bonds4

About 3-[6-[(dimethylamino)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol

3-[6-[(dimethylamino)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol (PubChem CID 25023741) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 3-[6-[(dimethylamino)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[6-[(dimethylamino)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
PubChem CID25023741
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name3-[6-[(dimethylamino)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
SMILESCN(C)Cc1cc2nc(-c3cccc(O)c3)nc(N3CCOCC3)c2s1
InChIInChI=1S/C19H22N4O2S/c1-22(2)12-15-11-16-17(26-15)19(23-6-8-25-9-7-23)21-18(20-16)13-4-3-5-14(24)10-13/h3-5,10-11,24H,6-9,12H2,1-2H3
InChIKeyVHSCMHRRZRZLFR-UHFFFAOYSA-N
XLogP2.96
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(dimethylamino)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol?
The IUPAC name of 3-[6-[(dimethylamino)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol (CID 25023741) is 3-[6-[(dimethylamino)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[6-[(dimethylamino)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol?
The canonical SMILES for 3-[6-[(dimethylamino)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol is CN(C)Cc1cc2nc(-c3cccc(O)c3)nc(N3CCOCC3)c2s1.
What is the InChIKey of 3-[6-[(dimethylamino)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol?
The InChIKey is VHSCMHRRZRZLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-22(2)12-15-11-16-17(26-15)19(23-6-8-25-9-7-23)21-18(20-16)13-4-3-5-14(24)10-13/h3-5,10-11,24H,6-9,12H2,1-2H3.
What are the key properties of 3-[6-[(dimethylamino)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol?
3-[6-[(dimethylamino)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol has a molecular weight of 370.48 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(dimethylamino)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol is sourced from PubChem (CID 25023741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).