1-amino-5-(3-methylhexan-3-yl)pyrimidine-2,4-dione

C11H19N3O2 — CID 129144583

IUPAC1-amino-5-(3-methylhexan-3-yl)pyrimidine-2,4-dione
SMILESCCCC(C)(CC)c1cn(N)c(=O)[nH]c1=O
InChIInChI=1S/C11H19N3O2/c1-4-6-11(3,5-2)8-7-14(12)10(16)13-9(8)15/h7H,4-6,12H2,1-3H3,(H,13,15,16)
InChIKeyPQCIFPDJEYPLSL-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.72
Rot. Bonds4

About 1-amino-5-(3-methylhexan-3-yl)pyrimidine-2,4-dione

1-amino-5-(3-methylhexan-3-yl)pyrimidine-2,4-dione (PubChem CID 129144583) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-amino-5-(3-methylhexan-3-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-amino-5-(3-methylhexan-3-yl)pyrimidine-2,4-dione
PubChem CID129144583
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-amino-5-(3-methylhexan-3-yl)pyrimidine-2,4-dione
SMILESCCCC(C)(CC)c1cn(N)c(=O)[nH]c1=O
InChIInChI=1S/C11H19N3O2/c1-4-6-11(3,5-2)8-7-14(12)10(16)13-9(8)15/h7H,4-6,12H2,1-3H3,(H,13,15,16)
InChIKeyPQCIFPDJEYPLSL-UHFFFAOYSA-N
XLogP0.72
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-methylpentan-3-yl)-1H-pyrimidine-2,4-dione
CID 89169700
5-(3-methylnonan-3-yl)-1H-pyrimidine-2,4-dione
CID 129082314
1-Amino-5-(7-methyltridecan-7-yl)pyrimidine-2,4-dione
CID 129144118
1-Amino-5-tert-butylpyrimidine-2,4-dione
CID 129144119
5-(4-methyldecan-4-yl)-1H-pyrimidine-2,4-dione
CID 130471053
1-Amino-5-(2,2-dimethylpropyl)pyrimidine-2,4-dione
CID 134419507
1-Amino-5-(2-methylpentan-2-yl)pyrimidine-2,4-dione
CID 139423492
5-(3-methylhexan-3-yl)-1H-pyrimidine-2,4-dione
CID 146175218
5-(2-methylbutan-2-yl)-1H-pyrimidine-2,4-dione
CID 146633143
5-(3-ethylpentan-3-yl)-1H-pyrimidine-2,4-dione
CID 154440442
5-(5-amino-2,4,4-trimethylpentan-2-yl)-1H-pyrimidine-2,4-dione
CID 163966425

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-(3-methylhexan-3-yl)pyrimidine-2,4-dione?
The IUPAC name of 1-amino-5-(3-methylhexan-3-yl)pyrimidine-2,4-dione (CID 129144583) is 1-amino-5-(3-methylhexan-3-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-amino-5-(3-methylhexan-3-yl)pyrimidine-2,4-dione?
The canonical SMILES for 1-amino-5-(3-methylhexan-3-yl)pyrimidine-2,4-dione is CCCC(C)(CC)c1cn(N)c(=O)[nH]c1=O.
What is the InChIKey of 1-amino-5-(3-methylhexan-3-yl)pyrimidine-2,4-dione?
The InChIKey is PQCIFPDJEYPLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-6-11(3,5-2)8-7-14(12)10(16)13-9(8)15/h7H,4-6,12H2,1-3H3,(H,13,15,16).
What are the key properties of 1-amino-5-(3-methylhexan-3-yl)pyrimidine-2,4-dione?
1-amino-5-(3-methylhexan-3-yl)pyrimidine-2,4-dione has a molecular weight of 225.29 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-(3-methylhexan-3-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 129144583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).