1-amino-5-tert-butylpyrimidine-2,4-dione

C8H13N3O2 — CID 129144119

IUPAC1-amino-5-tert-butylpyrimidine-2,4-dione
SMILESCC(C)(C)c1cn(N)c(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O2/c1-8(2,3)5-4-11(9)7(13)10-6(5)12/h4H,9H2,1-3H3,(H,10,12,13)
InChIKeySULIBCWTPJHADD-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.45
Rot. Bonds

About 1-amino-5-tert-butylpyrimidine-2,4-dione

1-amino-5-tert-butylpyrimidine-2,4-dione (PubChem CID 129144119) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-amino-5-tert-butylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-amino-5-tert-butylpyrimidine-2,4-dione
PubChem CID129144119
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name1-amino-5-tert-butylpyrimidine-2,4-dione
SMILESCC(C)(C)c1cn(N)c(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O2/c1-8(2,3)5-4-11(9)7(13)10-6(5)12/h4H,9H2,1-3H3,(H,10,12,13)
InChIKeySULIBCWTPJHADD-UHFFFAOYSA-N
XLogP-0.45
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-5-tert-butylpyrimidine-2,4-dione?
The IUPAC name of 1-amino-5-tert-butylpyrimidine-2,4-dione (CID 129144119) is 1-amino-5-tert-butylpyrimidine-2,4-dione.
What is the SMILES notation for 1-amino-5-tert-butylpyrimidine-2,4-dione?
The canonical SMILES for 1-amino-5-tert-butylpyrimidine-2,4-dione is CC(C)(C)c1cn(N)c(=O)[nH]c1=O.
What is the InChIKey of 1-amino-5-tert-butylpyrimidine-2,4-dione?
The InChIKey is SULIBCWTPJHADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-8(2,3)5-4-11(9)7(13)10-6(5)12/h4H,9H2,1-3H3,(H,10,12,13).
What are the key properties of 1-amino-5-tert-butylpyrimidine-2,4-dione?
1-amino-5-tert-butylpyrimidine-2,4-dione has a molecular weight of 183.21 g/mol, XLogP of -0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-tert-butylpyrimidine-2,4-dione is sourced from PubChem (CID 129144119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).