1-tert-butyl-5,6-dimethyl-4-(methylamino)pyrimidin-2-one

C11H19N3O — CID 71273347

IUPAC1-tert-butyl-5,6-dimethyl-4-(methylamino)pyrimidin-2-one
SMILESCNc1nc(=O)n(C(C)(C)C)c(C)c1C
InChIInChI=1S/C11H19N3O/c1-7-8(2)14(11(3,4)5)10(15)13-9(7)12-6/h1-6H3,(H,12,13,15)
InChIKeyMSIAHQGRQBFPOL-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.66
Rot. Bonds1

About 1-tert-butyl-5,6-dimethyl-4-(methylamino)pyrimidin-2-one

1-tert-butyl-5,6-dimethyl-4-(methylamino)pyrimidin-2-one (PubChem CID 71273347) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-tert-butyl-5,6-dimethyl-4-(methylamino)pyrimidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-5,6-dimethyl-4-(methylamino)pyrimidin-2-one
PubChem CID71273347
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-tert-butyl-5,6-dimethyl-4-(methylamino)pyrimidin-2-one
SMILESCNc1nc(=O)n(C(C)(C)C)c(C)c1C
InChIInChI=1S/C11H19N3O/c1-7-8(2)14(11(3,4)5)10(15)13-9(7)12-6/h1-6H3,(H,12,13,15)
InChIKeyMSIAHQGRQBFPOL-UHFFFAOYSA-N
XLogP1.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 20744767
CID 20744767
CID 21311513
CID 21311513
CID 21311519
CID 21311519
CID 22948985
CID 22948985
CID 147922803
CID 147922803
CID 159783406
CID 159783406
CID 54259999
CID 54259999

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5,6-dimethyl-4-(methylamino)pyrimidin-2-one?
The IUPAC name of 1-tert-butyl-5,6-dimethyl-4-(methylamino)pyrimidin-2-one (CID 71273347) is 1-tert-butyl-5,6-dimethyl-4-(methylamino)pyrimidin-2-one.
What is the SMILES notation for 1-tert-butyl-5,6-dimethyl-4-(methylamino)pyrimidin-2-one?
The canonical SMILES for 1-tert-butyl-5,6-dimethyl-4-(methylamino)pyrimidin-2-one is CNc1nc(=O)n(C(C)(C)C)c(C)c1C.
What is the InChIKey of 1-tert-butyl-5,6-dimethyl-4-(methylamino)pyrimidin-2-one?
The InChIKey is MSIAHQGRQBFPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-7-8(2)14(11(3,4)5)10(15)13-9(7)12-6/h1-6H3,(H,12,13,15).
What are the key properties of 1-tert-butyl-5,6-dimethyl-4-(methylamino)pyrimidin-2-one?
1-tert-butyl-5,6-dimethyl-4-(methylamino)pyrimidin-2-one has a molecular weight of 209.29 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5,6-dimethyl-4-(methylamino)pyrimidin-2-one is sourced from PubChem (CID 71273347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).