2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide

C12H20N4O2S — CID 135532611

IUPAC2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CSc1nc(N)cc(=O)[nH]1)C(C)C
InChIInChI=1S/C12H20N4O2S/c1-7(2)16(8(3)4)11(18)6-19-12-14-9(13)5-10(17)15-12/h5,7-8H,6H2,1-4H3,(H3,13,14,15,17)
InChIKeyCOXOBCCABQJAJK-UHFFFAOYSA-N
MW284.39 g/mol
LogP1.09
Rot. Bonds5

About 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide (PubChem CID 135532611) has the molecular formula C12H20N4O2S and a molecular weight of 284.39 g/mol. Its IUPAC name is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide
PubChem CID135532611
Molecular FormulaC12H20N4O2S
Molecular Weight284.39 g/mol
Exact Mass284.13
IUPAC Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CSc1nc(N)cc(=O)[nH]1)C(C)C
InChIInChI=1S/C12H20N4O2S/c1-7(2)16(8(3)4)11(18)6-19-12-14-9(13)5-10(17)15-12/h5,7-8H,6H2,1-4H3,(H3,13,14,15,17)
InChIKeyCOXOBCCABQJAJK-UHFFFAOYSA-N
XLogP1.09
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide (CID 135532611) is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)CSc1nc(N)cc(=O)[nH]1)C(C)C.
What is the InChIKey of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is COXOBCCABQJAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-7(2)16(8(3)4)11(18)6-19-12-14-9(13)5-10(17)15-12/h5,7-8H,6H2,1-4H3,(H3,13,14,15,17).
What are the key properties of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide?
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 284.39 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 135532611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).