4-amino-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-1H-pyrimidin-6-one

C10H15N3O2S — CID 135498205

IUPAC4-amino-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-1H-pyrimidin-6-one
SMILESCC(C)(C)C(=O)CSc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O2S/c1-10(2,3)6(14)5-16-9-12-7(11)4-8(15)13-9/h4H,5H2,1-3H3,(H3,11,12,13,15)
InChIKeyHWVRJZTXJMJPNK-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.06
Rot. Bonds3

About 4-amino-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-1H-pyrimidin-6-one

4-amino-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 135498205) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-amino-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID135498205
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name4-amino-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-1H-pyrimidin-6-one
SMILESCC(C)(C)C(=O)CSc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O2S/c1-10(2,3)6(14)5-16-9-12-7(11)4-8(15)13-9/h4H,5H2,1-3H3,(H3,11,12,13,15)
InChIKeyHWVRJZTXJMJPNK-UHFFFAOYSA-N
XLogP1.06
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-1H-pyrimidin-6-one (CID 135498205) is 4-amino-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-1H-pyrimidin-6-one is CC(C)(C)C(=O)CSc1nc(N)cc(=O)[nH]1.
What is the InChIKey of 4-amino-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is HWVRJZTXJMJPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-10(2,3)6(14)5-16-9-12-7(11)4-8(15)13-9/h4H,5H2,1-3H3,(H3,11,12,13,15).
What are the key properties of 4-amino-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-1H-pyrimidin-6-one?
4-amino-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 241.32 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135498205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).