1-tert-butyl-4-(tert-butylamino)pyrimidin-2-one

C12H21N3O — CID 59713864

IUPAC1-tert-butyl-4-(tert-butylamino)pyrimidin-2-one
SMILESCC(C)(C)Nc1ccn(C(C)(C)C)c(=O)n1
InChIInChI=1S/C12H21N3O/c1-11(2,3)14-9-7-8-15(10(16)13-9)12(4,5)6/h7-8H,1-6H3,(H,13,14,16)
InChIKeyUWLWGOYIZANGOE-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.21
Rot. Bonds1

About 1-tert-butyl-4-(tert-butylamino)pyrimidin-2-one

1-tert-butyl-4-(tert-butylamino)pyrimidin-2-one (PubChem CID 59713864) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-tert-butyl-4-(tert-butylamino)pyrimidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-(tert-butylamino)pyrimidin-2-one
PubChem CID59713864
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-tert-butyl-4-(tert-butylamino)pyrimidin-2-one
SMILESCC(C)(C)Nc1ccn(C(C)(C)C)c(=O)n1
InChIInChI=1S/C12H21N3O/c1-11(2,3)14-9-7-8-15(10(16)13-9)12(4,5)6/h7-8H,1-6H3,(H,13,14,16)
InChIKeyUWLWGOYIZANGOE-UHFFFAOYSA-N
XLogP2.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(tert-butylamino)pyrimidin-2-one?
The IUPAC name of 1-tert-butyl-4-(tert-butylamino)pyrimidin-2-one (CID 59713864) is 1-tert-butyl-4-(tert-butylamino)pyrimidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-(tert-butylamino)pyrimidin-2-one?
The canonical SMILES for 1-tert-butyl-4-(tert-butylamino)pyrimidin-2-one is CC(C)(C)Nc1ccn(C(C)(C)C)c(=O)n1.
What is the InChIKey of 1-tert-butyl-4-(tert-butylamino)pyrimidin-2-one?
The InChIKey is UWLWGOYIZANGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-11(2,3)14-9-7-8-15(10(16)13-9)12(4,5)6/h7-8H,1-6H3,(H,13,14,16).
What are the key properties of 1-tert-butyl-4-(tert-butylamino)pyrimidin-2-one?
1-tert-butyl-4-(tert-butylamino)pyrimidin-2-one has a molecular weight of 223.32 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(tert-butylamino)pyrimidin-2-one is sourced from PubChem (CID 59713864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).