N-[[2-(6-amino-3-pyridinyl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylbenzamide

C25H26N6O2S — CID 25109497

IUPACN-[[2-(6-amino-3-pyridinyl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylbenzamide
SMILESCc1c(CN(C)C(=O)c2ccccc2)sc2c(N3CCOCC3)nc(-c3ccc(N)nc3)nc12
InChIInChI=1S/C25H26N6O2S/c1-16-19(15-30(2)25(32)17-6-4-3-5-7-17)34-22-21(16)28-23(18-8-9-20(26)27-14-18)29-24(22)31-10-12-33-13-11-31/h3-9,14H,10-13,15H2,1-2H3,(H2,26,27)
InChIKeyWRFJQROBFZZAEC-UHFFFAOYSA-N
MW474.59 g/mol
LogP3.75
Rot. Bonds5

About N-[[2-(6-amino-3-pyridinyl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylbenzamide

N-[[2-(6-amino-3-pyridinyl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylbenzamide (PubChem CID 25109497) has the molecular formula C25H26N6O2S and a molecular weight of 474.59 g/mol. Its IUPAC name is N-[[2-(6-amino-3-pyridinyl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[[2-(6-amino-3-pyridinyl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylbenzamide
PubChem CID25109497
Molecular FormulaC25H26N6O2S
Molecular Weight474.59 g/mol
Exact Mass474.18
IUPAC NameN-[[2-(6-amino-3-pyridinyl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylbenzamide
SMILESCc1c(CN(C)C(=O)c2ccccc2)sc2c(N3CCOCC3)nc(-c3ccc(N)nc3)nc12
InChIInChI=1S/C25H26N6O2S/c1-16-19(15-30(2)25(32)17-6-4-3-5-7-17)34-22-21(16)28-23(18-8-9-20(26)27-14-18)29-24(22)31-10-12-33-13-11-31/h3-9,14H,10-13,15H2,1-2H3,(H2,26,27)
InChIKeyWRFJQROBFZZAEC-UHFFFAOYSA-N
XLogP3.75
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(6-amino-3-pyridinyl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylbenzamide?
The IUPAC name of N-[[2-(6-amino-3-pyridinyl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylbenzamide (CID 25109497) is N-[[2-(6-amino-3-pyridinyl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for N-[[2-(6-amino-3-pyridinyl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylbenzamide?
The canonical SMILES for N-[[2-(6-amino-3-pyridinyl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylbenzamide is Cc1c(CN(C)C(=O)c2ccccc2)sc2c(N3CCOCC3)nc(-c3ccc(N)nc3)nc12.
What is the InChIKey of N-[[2-(6-amino-3-pyridinyl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylbenzamide?
The InChIKey is WRFJQROBFZZAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2S/c1-16-19(15-30(2)25(32)17-6-4-3-5-7-17)34-22-21(16)28-23(18-8-9-20(26)27-14-18)29-24(22)31-10-12-33-13-11-31/h3-9,14H,10-13,15H2,1-2H3,(H2,26,27).
What are the key properties of N-[[2-(6-amino-3-pyridinyl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylbenzamide?
N-[[2-(6-amino-3-pyridinyl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylbenzamide has a molecular weight of 474.59 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(6-amino-3-pyridinyl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 25109497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).