2-amino-5-[2-(methylamino)phenyl]sulfanyl-1H-pyrimidin-6-one

C11H12N4OS — CID 171384450

IUPAC2-amino-5-[2-(methylamino)phenyl]sulfanyl-1H-pyrimidin-6-one
SMILESCNc1ccccc1Sc1cnc(N)[nH]c1=O
InChIInChI=1S/C11H12N4OS/c1-13-7-4-2-3-5-8(7)17-9-6-14-11(12)15-10(9)16/h2-6,13H,1H3,(H3,12,14,15,16)
InChIKeyNQKLNVYBODEPLS-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.54
Rot. Bonds3

About 2-amino-5-[2-(methylamino)phenyl]sulfanyl-1H-pyrimidin-6-one

2-amino-5-[2-(methylamino)phenyl]sulfanyl-1H-pyrimidin-6-one (PubChem CID 171384450) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-amino-5-[2-(methylamino)phenyl]sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-[2-(methylamino)phenyl]sulfanyl-1H-pyrimidin-6-one
PubChem CID171384450
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name2-amino-5-[2-(methylamino)phenyl]sulfanyl-1H-pyrimidin-6-one
SMILESCNc1ccccc1Sc1cnc(N)[nH]c1=O
InChIInChI=1S/C11H12N4OS/c1-13-7-4-2-3-5-8(7)17-9-6-14-11(12)15-10(9)16/h2-6,13H,1H3,(H3,12,14,15,16)
InChIKeyNQKLNVYBODEPLS-UHFFFAOYSA-N
XLogP1.54
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-(methylamino)phenyl]sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-[2-(methylamino)phenyl]sulfanyl-1H-pyrimidin-6-one (CID 171384450) is 2-amino-5-[2-(methylamino)phenyl]sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-[2-(methylamino)phenyl]sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-[2-(methylamino)phenyl]sulfanyl-1H-pyrimidin-6-one is CNc1ccccc1Sc1cnc(N)[nH]c1=O.
What is the InChIKey of 2-amino-5-[2-(methylamino)phenyl]sulfanyl-1H-pyrimidin-6-one?
The InChIKey is NQKLNVYBODEPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-13-7-4-2-3-5-8(7)17-9-6-14-11(12)15-10(9)16/h2-6,13H,1H3,(H3,12,14,15,16).
What are the key properties of 2-amino-5-[2-(methylamino)phenyl]sulfanyl-1H-pyrimidin-6-one?
2-amino-5-[2-(methylamino)phenyl]sulfanyl-1H-pyrimidin-6-one has a molecular weight of 248.31 g/mol, XLogP of 1.54, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-(methylamino)phenyl]sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 171384450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).