3-amino-2,2,3-trimethyl-1-pyrimidin-5-ylbutan-1-one

C11H17N3O — CID 116573570

IUPAC3-amino-2,2,3-trimethyl-1-pyrimidin-5-ylbutan-1-one
SMILESCC(C)(N)C(C)(C)C(=O)c1cncnc1
InChIInChI=1S/C11H17N3O/c1-10(2,11(3,4)12)9(15)8-5-13-7-14-6-8/h5-7H,12H2,1-4H3
InChIKeyRXVBUWOHOOOKIT-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.42
Rot. Bonds3

About 3-amino-2,2,3-trimethyl-1-pyrimidin-5-ylbutan-1-one

3-amino-2,2,3-trimethyl-1-pyrimidin-5-ylbutan-1-one (PubChem CID 116573570) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-amino-2,2,3-trimethyl-1-pyrimidin-5-ylbutan-1-one.

Molecular Properties

Compound Name3-amino-2,2,3-trimethyl-1-pyrimidin-5-ylbutan-1-one
PubChem CID116573570
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-amino-2,2,3-trimethyl-1-pyrimidin-5-ylbutan-1-one
SMILESCC(C)(N)C(C)(C)C(=O)c1cncnc1
InChIInChI=1S/C11H17N3O/c1-10(2,11(3,4)12)9(15)8-5-13-7-14-6-8/h5-7H,12H2,1-4H3
InChIKeyRXVBUWOHOOOKIT-UHFFFAOYSA-N
XLogP1.42
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2,3-trimethyl-1-pyrimidin-5-ylbutan-1-one?
The IUPAC name of 3-amino-2,2,3-trimethyl-1-pyrimidin-5-ylbutan-1-one (CID 116573570) is 3-amino-2,2,3-trimethyl-1-pyrimidin-5-ylbutan-1-one.
What is the SMILES notation for 3-amino-2,2,3-trimethyl-1-pyrimidin-5-ylbutan-1-one?
The canonical SMILES for 3-amino-2,2,3-trimethyl-1-pyrimidin-5-ylbutan-1-one is CC(C)(N)C(C)(C)C(=O)c1cncnc1.
What is the InChIKey of 3-amino-2,2,3-trimethyl-1-pyrimidin-5-ylbutan-1-one?
The InChIKey is RXVBUWOHOOOKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-10(2,11(3,4)12)9(15)8-5-13-7-14-6-8/h5-7H,12H2,1-4H3.
What are the key properties of 3-amino-2,2,3-trimethyl-1-pyrimidin-5-ylbutan-1-one?
3-amino-2,2,3-trimethyl-1-pyrimidin-5-ylbutan-1-one has a molecular weight of 207.28 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2,3-trimethyl-1-pyrimidin-5-ylbutan-1-one is sourced from PubChem (CID 116573570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).