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

C10H17N3O2 — CID 139423492

IUPAC1-amino-5-(2-methylpentan-2-yl)pyrimidine-2,4-dione
SMILESCCCC(C)(C)c1cn(N)c(=O)[nH]c1=O
InChIInChI=1S/C10H17N3O2/c1-4-5-10(2,3)7-6-13(11)9(15)12-8(7)14/h6H,4-5,11H2,1-3H3,(H,12,14,15)
InChIKeyGZBKTILQKYATHX-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.33
Rot. Bonds3

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

1-amino-5-(2-methylpentan-2-yl)pyrimidine-2,4-dione (PubChem CID 139423492) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-amino-5-(2-methylpentan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-amino-5-(2-methylpentan-2-yl)pyrimidine-2,4-dione
PubChem CID139423492
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-amino-5-(2-methylpentan-2-yl)pyrimidine-2,4-dione
SMILESCCCC(C)(C)c1cn(N)c(=O)[nH]c1=O
InChIInChI=1S/C10H17N3O2/c1-4-5-10(2,3)7-6-13(11)9(15)12-8(7)14/h6H,4-5,11H2,1-3H3,(H,12,14,15)
InChIKeyGZBKTILQKYATHX-UHFFFAOYSA-N
XLogP0.33
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-5-(2-methylpentan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 1-amino-5-(2-methylpentan-2-yl)pyrimidine-2,4-dione (CID 139423492) is 1-amino-5-(2-methylpentan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-amino-5-(2-methylpentan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 1-amino-5-(2-methylpentan-2-yl)pyrimidine-2,4-dione is CCCC(C)(C)c1cn(N)c(=O)[nH]c1=O.
What is the InChIKey of 1-amino-5-(2-methylpentan-2-yl)pyrimidine-2,4-dione?
The InChIKey is GZBKTILQKYATHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-5-10(2,3)7-6-13(11)9(15)12-8(7)14/h6H,4-5,11H2,1-3H3,(H,12,14,15).
What are the key properties of 1-amino-5-(2-methylpentan-2-yl)pyrimidine-2,4-dione?
1-amino-5-(2-methylpentan-2-yl)pyrimidine-2,4-dione has a molecular weight of 211.26 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-(2-methylpentan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 139423492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).