4-amino-2-tert-butyl-1H-pyrimidin-6-one;methane

C9H17N3O — CID 160592732

IUPAC4-amino-2-tert-butyl-1H-pyrimidin-6-one;methane
SMILESC.CC(C)(C)c1nc(N)cc(=O)[nH]1
InChIInChI=1S/C8H13N3O.CH4/c1-8(2,3)7-10-5(9)4-6(12)11-7;/h4H,1-3H3,(H3,9,10,11,12);1H4
InChIKeyRDFXFURIPUAQLV-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.29
Rot. Bonds

About 4-amino-2-tert-butyl-1H-pyrimidin-6-one;methane

4-amino-2-tert-butyl-1H-pyrimidin-6-one;methane (PubChem CID 160592732) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-amino-2-tert-butyl-1H-pyrimidin-6-one;methane.

Molecular Properties

Compound Name4-amino-2-tert-butyl-1H-pyrimidin-6-one;methane
PubChem CID160592732
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name4-amino-2-tert-butyl-1H-pyrimidin-6-one;methane
SMILESC.CC(C)(C)c1nc(N)cc(=O)[nH]1
InChIInChI=1S/C8H13N3O.CH4/c1-8(2,3)7-10-5(9)4-6(12)11-7;/h4H,1-3H3,(H3,9,10,11,12);1H4
InChIKeyRDFXFURIPUAQLV-UHFFFAOYSA-N
XLogP1.29
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-tert-butyl-1H-pyrimidin-6-one;methane?
The IUPAC name of 4-amino-2-tert-butyl-1H-pyrimidin-6-one;methane (CID 160592732) is 4-amino-2-tert-butyl-1H-pyrimidin-6-one;methane.
What is the SMILES notation for 4-amino-2-tert-butyl-1H-pyrimidin-6-one;methane?
The canonical SMILES for 4-amino-2-tert-butyl-1H-pyrimidin-6-one;methane is C.CC(C)(C)c1nc(N)cc(=O)[nH]1.
What is the InChIKey of 4-amino-2-tert-butyl-1H-pyrimidin-6-one;methane?
The InChIKey is RDFXFURIPUAQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O.CH4/c1-8(2,3)7-10-5(9)4-6(12)11-7;/h4H,1-3H3,(H3,9,10,11,12);1H4.
What are the key properties of 4-amino-2-tert-butyl-1H-pyrimidin-6-one;methane?
4-amino-2-tert-butyl-1H-pyrimidin-6-one;methane has a molecular weight of 183.25 g/mol, XLogP of 1.29, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-tert-butyl-1H-pyrimidin-6-one;methane is sourced from PubChem (CID 160592732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).