3-[[4-(ethylamino)-2-pyridinyl]methyl]thieno[2,3-d]pyrimidin-4-one

C14H14N4OS — CID 79251879

IUPAC3-[[4-(ethylamino)-2-pyridinyl]methyl]thieno[2,3-d]pyrimidin-4-one
SMILESCCNc1ccnc(Cn2cnc3sccc3c2=O)c1
InChIInChI=1S/C14H14N4OS/c1-2-15-10-3-5-16-11(7-10)8-18-9-17-13-12(14(18)19)4-6-20-13/h3-7,9H,2,8H2,1H3,(H,15,16)
InChIKeyAQIDWQQBBKKNIF-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.33
Rot. Bonds4

About 3-[[4-(ethylamino)-2-pyridinyl]methyl]thieno[2,3-d]pyrimidin-4-one

3-[[4-(ethylamino)-2-pyridinyl]methyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 79251879) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-[[4-(ethylamino)-2-pyridinyl]methyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[4-(ethylamino)-2-pyridinyl]methyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID79251879
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name3-[[4-(ethylamino)-2-pyridinyl]methyl]thieno[2,3-d]pyrimidin-4-one
SMILESCCNc1ccnc(Cn2cnc3sccc3c2=O)c1
InChIInChI=1S/C14H14N4OS/c1-2-15-10-3-5-16-11(7-10)8-18-9-17-13-12(14(18)19)4-6-20-13/h3-7,9H,2,8H2,1H3,(H,15,16)
InChIKeyAQIDWQQBBKKNIF-UHFFFAOYSA-N
XLogP2.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(ethylamino)-2-pyridinyl]methyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[[4-(ethylamino)-2-pyridinyl]methyl]thieno[2,3-d]pyrimidin-4-one (CID 79251879) is 3-[[4-(ethylamino)-2-pyridinyl]methyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[4-(ethylamino)-2-pyridinyl]methyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[[4-(ethylamino)-2-pyridinyl]methyl]thieno[2,3-d]pyrimidin-4-one is CCNc1ccnc(Cn2cnc3sccc3c2=O)c1.
What is the InChIKey of 3-[[4-(ethylamino)-2-pyridinyl]methyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is AQIDWQQBBKKNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-2-15-10-3-5-16-11(7-10)8-18-9-17-13-12(14(18)19)4-6-20-13/h3-7,9H,2,8H2,1H3,(H,15,16).
What are the key properties of 3-[[4-(ethylamino)-2-pyridinyl]methyl]thieno[2,3-d]pyrimidin-4-one?
3-[[4-(ethylamino)-2-pyridinyl]methyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 286.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(ethylamino)-2-pyridinyl]methyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 79251879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).