2-(6-amino-5-propan-2-ylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one

C11H13N5OS — CID 80892750

IUPAC2-(6-amino-5-propan-2-ylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
SMILESCC(C)c1c(N)ncnc1Sc1nccc(=O)[nH]1
InChIInChI=1S/C11H13N5OS/c1-6(2)8-9(12)14-5-15-10(8)18-11-13-4-3-7(17)16-11/h3-6H,1-2H3,(H2,12,14,15)(H,13,16,17)
InChIKeyAYYXRDJABFUIFW-UHFFFAOYSA-N
MW263.33 g/mol
LogP1.42
Rot. Bonds3

About 2-(6-amino-5-propan-2-ylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one

2-(6-amino-5-propan-2-ylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 80892750) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is 2-(6-amino-5-propan-2-ylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(6-amino-5-propan-2-ylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
PubChem CID80892750
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC Name2-(6-amino-5-propan-2-ylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
SMILESCC(C)c1c(N)ncnc1Sc1nccc(=O)[nH]1
InChIInChI=1S/C11H13N5OS/c1-6(2)8-9(12)14-5-15-10(8)18-11-13-4-3-7(17)16-11/h3-6H,1-2H3,(H2,12,14,15)(H,13,16,17)
InChIKeyAYYXRDJABFUIFW-UHFFFAOYSA-N
XLogP1.42
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5-propan-2-ylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(6-amino-5-propan-2-ylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one (CID 80892750) is 2-(6-amino-5-propan-2-ylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(6-amino-5-propan-2-ylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(6-amino-5-propan-2-ylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one is CC(C)c1c(N)ncnc1Sc1nccc(=O)[nH]1.
What is the InChIKey of 2-(6-amino-5-propan-2-ylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is AYYXRDJABFUIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-6(2)8-9(12)14-5-15-10(8)18-11-13-4-3-7(17)16-11/h3-6H,1-2H3,(H2,12,14,15)(H,13,16,17).
What are the key properties of 2-(6-amino-5-propan-2-ylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
2-(6-amino-5-propan-2-ylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 263.33 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-5-propan-2-ylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 80892750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).