[[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl-methylamino]methanol

C17H21N7O2S — CID 131704412

IUPAC[[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl-methylamino]methanol
SMILESCN(CO)Cc1csc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc12
InChIInChI=1S/C17H21N7O2S/c1-23(10-25)8-12-9-27-15-13(11-6-19-16(18)20-7-11)21-17(22-14(12)15)24-2-4-26-5-3-24/h6-7,9,25H,2-5,8,10H2,1H3,(H2,18,19,20)
InChIKeyFYZFCLCVNWDVMC-UHFFFAOYSA-N
MW387.47 g/mol
LogP0.95
Rot. Bonds5

About [[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl-methylamino]methanol

[[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl-methylamino]methanol (PubChem CID 131704412) has the molecular formula C17H21N7O2S and a molecular weight of 387.47 g/mol. Its IUPAC name is [[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl-methylamino]methanol.

Molecular Properties

Compound Name[[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl-methylamino]methanol
PubChem CID131704412
Molecular FormulaC17H21N7O2S
Molecular Weight387.47 g/mol
Exact Mass387.15
IUPAC Name[[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl-methylamino]methanol
SMILESCN(CO)Cc1csc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc12
InChIInChI=1S/C17H21N7O2S/c1-23(10-25)8-12-9-27-15-13(11-6-19-16(18)20-7-11)21-17(22-14(12)15)24-2-4-26-5-3-24/h6-7,9,25H,2-5,8,10H2,1H3,(H2,18,19,20)
InChIKeyFYZFCLCVNWDVMC-UHFFFAOYSA-N
XLogP0.95
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl-methylamino]methanol?
The IUPAC name of [[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl-methylamino]methanol (CID 131704412) is [[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl-methylamino]methanol.
What is the SMILES notation for [[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl-methylamino]methanol?
The canonical SMILES for [[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl-methylamino]methanol is CN(CO)Cc1csc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc12.
What is the InChIKey of [[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl-methylamino]methanol?
The InChIKey is FYZFCLCVNWDVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2S/c1-23(10-25)8-12-9-27-15-13(11-6-19-16(18)20-7-11)21-17(22-14(12)15)24-2-4-26-5-3-24/h6-7,9,25H,2-5,8,10H2,1H3,(H2,18,19,20).
What are the key properties of [[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl-methylamino]methanol?
[[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl-methylamino]methanol has a molecular weight of 387.47 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl-methylamino]methanol is sourced from PubChem (CID 131704412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).