1-tert-butyl-5-methyl-4-(methylamino)pyrimidin-2-one

C10H17N3O — CID 159783406

IUPAC1-tert-butyl-5-methyl-4-(methylamino)pyrimidin-2-one
SMILESCNc1nc(=O)n(C(C)(C)C)cc1C
InChIInChI=1S/C10H17N3O/c1-7-6-13(10(2,3)4)9(14)12-8(7)11-5/h6H,1-5H3,(H,11,12,14)
InChIKeyNRTRMZJGGFVDRF-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.35
Rot. Bonds1

About 1-tert-butyl-5-methyl-4-(methylamino)pyrimidin-2-one

1-tert-butyl-5-methyl-4-(methylamino)pyrimidin-2-one (PubChem CID 159783406) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-tert-butyl-5-methyl-4-(methylamino)pyrimidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-5-methyl-4-(methylamino)pyrimidin-2-one
PubChem CID159783406
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-tert-butyl-5-methyl-4-(methylamino)pyrimidin-2-one
SMILESCNc1nc(=O)n(C(C)(C)C)cc1C
InChIInChI=1S/C10H17N3O/c1-7-6-13(10(2,3)4)9(14)12-8(7)11-5/h6H,1-5H3,(H,11,12,14)
InChIKeyNRTRMZJGGFVDRF-UHFFFAOYSA-N
XLogP1.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-methyl-4-(methylamino)pyrimidin-2-one?
The IUPAC name of 1-tert-butyl-5-methyl-4-(methylamino)pyrimidin-2-one (CID 159783406) is 1-tert-butyl-5-methyl-4-(methylamino)pyrimidin-2-one.
What is the SMILES notation for 1-tert-butyl-5-methyl-4-(methylamino)pyrimidin-2-one?
The canonical SMILES for 1-tert-butyl-5-methyl-4-(methylamino)pyrimidin-2-one is CNc1nc(=O)n(C(C)(C)C)cc1C.
What is the InChIKey of 1-tert-butyl-5-methyl-4-(methylamino)pyrimidin-2-one?
The InChIKey is NRTRMZJGGFVDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7-6-13(10(2,3)4)9(14)12-8(7)11-5/h6H,1-5H3,(H,11,12,14).
What are the key properties of 1-tert-butyl-5-methyl-4-(methylamino)pyrimidin-2-one?
1-tert-butyl-5-methyl-4-(methylamino)pyrimidin-2-one has a molecular weight of 195.27 g/mol, XLogP of 1.35, 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-methyl-4-(methylamino)pyrimidin-2-one is sourced from PubChem (CID 159783406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).