6-amino-3-tert-butyl-1,6-dihydropyrimidin-2-one

C8H15N3O — CID 139393569

IUPAC6-amino-3-tert-butyl-1,6-dihydropyrimidin-2-one
SMILESCC(C)(C)N1C=CC(N)NC1=O
InChIInChI=1S/C8H15N3O/c1-8(2,3)11-5-4-6(9)10-7(11)12/h4-6H,9H2,1-3H3,(H,10,12)
InChIKeyHBKSFKKTDAURIQ-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.61
Rot. Bonds

About 6-amino-3-tert-butyl-1,6-dihydropyrimidin-2-one

6-amino-3-tert-butyl-1,6-dihydropyrimidin-2-one (PubChem CID 139393569) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 6-amino-3-tert-butyl-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name6-amino-3-tert-butyl-1,6-dihydropyrimidin-2-one
PubChem CID139393569
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name6-amino-3-tert-butyl-1,6-dihydropyrimidin-2-one
SMILESCC(C)(C)N1C=CC(N)NC1=O
InChIInChI=1S/C8H15N3O/c1-8(2,3)11-5-4-6(9)10-7(11)12/h4-6H,9H2,1-3H3,(H,10,12)
InChIKeyHBKSFKKTDAURIQ-UHFFFAOYSA-N
XLogP0.61
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-tert-butyl-1,6-dihydropyrimidin-2-one?
The IUPAC name of 6-amino-3-tert-butyl-1,6-dihydropyrimidin-2-one (CID 139393569) is 6-amino-3-tert-butyl-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for 6-amino-3-tert-butyl-1,6-dihydropyrimidin-2-one?
The canonical SMILES for 6-amino-3-tert-butyl-1,6-dihydropyrimidin-2-one is CC(C)(C)N1C=CC(N)NC1=O.
What is the InChIKey of 6-amino-3-tert-butyl-1,6-dihydropyrimidin-2-one?
The InChIKey is HBKSFKKTDAURIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-8(2,3)11-5-4-6(9)10-7(11)12/h4-6H,9H2,1-3H3,(H,10,12).
What are the key properties of 6-amino-3-tert-butyl-1,6-dihydropyrimidin-2-one?
6-amino-3-tert-butyl-1,6-dihydropyrimidin-2-one has a molecular weight of 169.23 g/mol, XLogP of 0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-tert-butyl-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 139393569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).