N-[(6-methoxy-3-pyridinyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

C24H25N5O2S — CID 16605764

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c23)cn1
InChIInChI=1S/C24H25N5O2S/c1-30-21-8-7-17(13-25-21)14-26-23-22-19(18-5-3-2-4-6-18)16-32-24(22)28-20(27-23)15-29-9-11-31-12-10-29/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,27,28)
InChIKeyXVHFXWFDKBKGGO-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.21
Rot. Bonds7

About N-[(6-methoxy-3-pyridinyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

N-[(6-methoxy-3-pyridinyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 16605764) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID16605764
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c23)cn1
InChIInChI=1S/C24H25N5O2S/c1-30-21-8-7-17(13-25-21)14-26-23-22-19(18-5-3-2-4-6-18)16-32-24(22)28-20(27-23)15-29-9-11-31-12-10-29/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,27,28)
InChIKeyXVHFXWFDKBKGGO-UHFFFAOYSA-N
XLogP4.21
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 16605764) is N-[(6-methoxy-3-pyridinyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is COc1ccc(CNc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c23)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XVHFXWFDKBKGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-30-21-8-7-17(13-25-21)14-26-23-22-19(18-5-3-2-4-6-18)16-32-24(22)28-20(27-23)15-29-9-11-31-12-10-29/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,27,28).
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
N-[(6-methoxy-3-pyridinyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 447.56 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 16605764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).