1-amino-5-propan-2-ylpyrimidine-2,4-dione

C7H11N3O2 — CID 129133639

IUPAC1-amino-5-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)c1cn(N)c(=O)[nH]c1=O
InChIInChI=1S/C7H11N3O2/c1-4(2)5-3-10(8)7(12)9-6(5)11/h3-4H,8H2,1-2H3,(H,9,11,12)
InChIKeyVUZPKXADPHKOPL-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.63
Rot. Bonds1

About 1-amino-5-propan-2-ylpyrimidine-2,4-dione

1-amino-5-propan-2-ylpyrimidine-2,4-dione (PubChem CID 129133639) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-amino-5-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-amino-5-propan-2-ylpyrimidine-2,4-dione
PubChem CID129133639
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name1-amino-5-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)c1cn(N)c(=O)[nH]c1=O
InChIInChI=1S/C7H11N3O2/c1-4(2)5-3-10(8)7(12)9-6(5)11/h3-4H,8H2,1-2H3,(H,9,11,12)
InChIKeyVUZPKXADPHKOPL-UHFFFAOYSA-N
XLogP-0.63
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Ethyl-2,4(1H,3H)-pyrimidinedione
CID 73267
5-Isopropyluracil
CID 98575
1-Amino thymine
CID 11819159
d4-Methylthymine
CID 129684437
3-amino-5-methyl-1H-pyrimidine-2,4-dione
CID 15101967
3-oxo-4-propan-2-yl-1H-pyrazole-2-carboxamide
CID 20435282
N-ethyl-N-methyl-3-oxo-4-propan-2-yl-1H-pyrazole-2-carboxamide
CID 20435283
N-methyl-3-oxo-4-propan-2-yl-N-propyl-1H-pyrazole-2-carboxamide
CID 20435292
N-butyl-N-methyl-3-oxo-4-propan-2-yl-1H-pyrazole-2-carboxamide
CID 20435296
N-methyl-N-(2-methylpropyl)-3-oxo-4-propan-2-yl-1H-pyrazole-2-carboxamide
CID 20435300
5-Ethyl-1-methylpyrimidine-2,4-dione
CID 20700895
1-(Hydroxyamino)-5-methylpyrimidine-2,4-dione
CID 21838627

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 1-amino-5-propan-2-ylpyrimidine-2,4-dione (CID 129133639) is 1-amino-5-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1-amino-5-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 1-amino-5-propan-2-ylpyrimidine-2,4-dione is CC(C)c1cn(N)c(=O)[nH]c1=O.
What is the InChIKey of 1-amino-5-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is VUZPKXADPHKOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4(2)5-3-10(8)7(12)9-6(5)11/h3-4H,8H2,1-2H3,(H,9,11,12).
What are the key properties of 1-amino-5-propan-2-ylpyrimidine-2,4-dione?
1-amino-5-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 169.18 g/mol, XLogP of -0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 129133639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).