4-amino-1-(thiophen-2-ylmethyl)pyrimidin-2-one

C9H9N3OS — CID 169083443

IUPAC4-amino-1-(thiophen-2-ylmethyl)pyrimidin-2-one
SMILESNc1ccn(Cc2cccs2)c(=O)n1
InChIInChI=1S/C9H9N3OS/c10-8-3-4-12(9(13)11-8)6-7-2-1-5-14-7/h1-5H,6H2,(H2,10,11,13)
InChIKeySCQNZQKZRHHREH-UHFFFAOYSA-N
MW207.26 g/mol
LogP0.94
Rot. Bonds2

About 4-amino-1-(thiophen-2-ylmethyl)pyrimidin-2-one

4-amino-1-(thiophen-2-ylmethyl)pyrimidin-2-one (PubChem CID 169083443) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 4-amino-1-(thiophen-2-ylmethyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(thiophen-2-ylmethyl)pyrimidin-2-one
PubChem CID169083443
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name4-amino-1-(thiophen-2-ylmethyl)pyrimidin-2-one
SMILESNc1ccn(Cc2cccs2)c(=O)n1
InChIInChI=1S/C9H9N3OS/c10-8-3-4-12(9(13)11-8)6-7-2-1-5-14-7/h1-5H,6H2,(H2,10,11,13)
InChIKeySCQNZQKZRHHREH-UHFFFAOYSA-N
XLogP0.94
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(thiophen-2-ylmethyl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-(thiophen-2-ylmethyl)pyrimidin-2-one (CID 169083443) is 4-amino-1-(thiophen-2-ylmethyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(thiophen-2-ylmethyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-(thiophen-2-ylmethyl)pyrimidin-2-one is Nc1ccn(Cc2cccs2)c(=O)n1.
What is the InChIKey of 4-amino-1-(thiophen-2-ylmethyl)pyrimidin-2-one?
The InChIKey is SCQNZQKZRHHREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c10-8-3-4-12(9(13)11-8)6-7-2-1-5-14-7/h1-5H,6H2,(H2,10,11,13).
What are the key properties of 4-amino-1-(thiophen-2-ylmethyl)pyrimidin-2-one?
4-amino-1-(thiophen-2-ylmethyl)pyrimidin-2-one has a molecular weight of 207.26 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(thiophen-2-ylmethyl)pyrimidin-2-one is sourced from PubChem (CID 169083443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).