4-amino-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one

C7H11N3OS — CID 135497768

IUPAC4-amino-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one
SMILESCC(C)Sc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C7H11N3OS/c1-4(2)12-7-9-5(8)3-6(11)10-7/h3-4H,1-2H3,(H3,8,9,10,11)
InChIKeyFGDANRYLLKOHPV-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.85
Rot. Bonds2

About 4-amino-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one

4-amino-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one (PubChem CID 135497768) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 4-amino-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one
PubChem CID135497768
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name4-amino-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one
SMILESCC(C)Sc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C7H11N3OS/c1-4(2)12-7-9-5(8)3-6(11)10-7/h3-4H,1-2H3,(H3,8,9,10,11)
InChIKeyFGDANRYLLKOHPV-UHFFFAOYSA-N
XLogP0.85
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one (CID 135497768) is 4-amino-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one is CC(C)Sc1nc(N)cc(=O)[nH]1.
What is the InChIKey of 4-amino-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is FGDANRYLLKOHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-4(2)12-7-9-5(8)3-6(11)10-7/h3-4H,1-2H3,(H3,8,9,10,11).
What are the key properties of 4-amino-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one?
4-amino-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 185.25 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135497768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).