6-amino-1-propyl-5-(2-pyrrolidin-1-ylacetyl)pyrimidine-2,4-dione

C13H20N4O3 — CID 4851002

IUPAC6-amino-1-propyl-5-(2-pyrrolidin-1-ylacetyl)pyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CN2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H20N4O3/c1-2-5-17-11(14)10(12(19)15-13(17)20)9(18)8-16-6-3-4-7-16/h2-8,14H2,1H3,(H,15,19,20)
InChIKeyWHEMARDXKNBKOX-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.19
Rot. Bonds5

About 6-amino-1-propyl-5-(2-pyrrolidin-1-ylacetyl)pyrimidine-2,4-dione

6-amino-1-propyl-5-(2-pyrrolidin-1-ylacetyl)pyrimidine-2,4-dione (PubChem CID 4851002) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 6-amino-1-propyl-5-(2-pyrrolidin-1-ylacetyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-propyl-5-(2-pyrrolidin-1-ylacetyl)pyrimidine-2,4-dione
PubChem CID4851002
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name6-amino-1-propyl-5-(2-pyrrolidin-1-ylacetyl)pyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CN2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H20N4O3/c1-2-5-17-11(14)10(12(19)15-13(17)20)9(18)8-16-6-3-4-7-16/h2-8,14H2,1H3,(H,15,19,20)
InChIKeyWHEMARDXKNBKOX-UHFFFAOYSA-N
XLogP-0.19
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-propyl-5-(2-pyrrolidin-1-ylacetyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-propyl-5-(2-pyrrolidin-1-ylacetyl)pyrimidine-2,4-dione (CID 4851002) is 6-amino-1-propyl-5-(2-pyrrolidin-1-ylacetyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-propyl-5-(2-pyrrolidin-1-ylacetyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-propyl-5-(2-pyrrolidin-1-ylacetyl)pyrimidine-2,4-dione is CCCn1c(N)c(C(=O)CN2CCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-propyl-5-(2-pyrrolidin-1-ylacetyl)pyrimidine-2,4-dione?
The InChIKey is WHEMARDXKNBKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-2-5-17-11(14)10(12(19)15-13(17)20)9(18)8-16-6-3-4-7-16/h2-8,14H2,1H3,(H,15,19,20).
What are the key properties of 6-amino-1-propyl-5-(2-pyrrolidin-1-ylacetyl)pyrimidine-2,4-dione?
6-amino-1-propyl-5-(2-pyrrolidin-1-ylacetyl)pyrimidine-2,4-dione has a molecular weight of 280.33 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-propyl-5-(2-pyrrolidin-1-ylacetyl)pyrimidine-2,4-dione is sourced from PubChem (CID 4851002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).