1-(2-aminoacetyl)-5-(aminomethyl)-3-cyclopentylpyrimidine-2,4-dione

C12H18N4O3 — CID 91557933

IUPAC1-(2-aminoacetyl)-5-(aminomethyl)-3-cyclopentylpyrimidine-2,4-dione
SMILESNCC(=O)n1cc(CN)c(=O)n(C2CCCC2)c1=O
InChIInChI=1S/C12H18N4O3/c13-5-8-7-15(10(17)6-14)12(19)16(11(8)18)9-3-1-2-4-9/h7,9H,1-6,13-14H2
InChIKeyHCEPLAJPCMXFHR-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.82
Rot. Bonds3

About 1-(2-aminoacetyl)-5-(aminomethyl)-3-cyclopentylpyrimidine-2,4-dione

1-(2-aminoacetyl)-5-(aminomethyl)-3-cyclopentylpyrimidine-2,4-dione (PubChem CID 91557933) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(2-aminoacetyl)-5-(aminomethyl)-3-cyclopentylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-aminoacetyl)-5-(aminomethyl)-3-cyclopentylpyrimidine-2,4-dione
PubChem CID91557933
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-(2-aminoacetyl)-5-(aminomethyl)-3-cyclopentylpyrimidine-2,4-dione
SMILESNCC(=O)n1cc(CN)c(=O)n(C2CCCC2)c1=O
InChIInChI=1S/C12H18N4O3/c13-5-8-7-15(10(17)6-14)12(19)16(11(8)18)9-3-1-2-4-9/h7,9H,1-6,13-14H2
InChIKeyHCEPLAJPCMXFHR-UHFFFAOYSA-N
XLogP-0.82
TPSA113.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoacetyl)-5-(aminomethyl)-3-cyclopentylpyrimidine-2,4-dione?
The IUPAC name of 1-(2-aminoacetyl)-5-(aminomethyl)-3-cyclopentylpyrimidine-2,4-dione (CID 91557933) is 1-(2-aminoacetyl)-5-(aminomethyl)-3-cyclopentylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-aminoacetyl)-5-(aminomethyl)-3-cyclopentylpyrimidine-2,4-dione?
The canonical SMILES for 1-(2-aminoacetyl)-5-(aminomethyl)-3-cyclopentylpyrimidine-2,4-dione is NCC(=O)n1cc(CN)c(=O)n(C2CCCC2)c1=O.
What is the InChIKey of 1-(2-aminoacetyl)-5-(aminomethyl)-3-cyclopentylpyrimidine-2,4-dione?
The InChIKey is HCEPLAJPCMXFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c13-5-8-7-15(10(17)6-14)12(19)16(11(8)18)9-3-1-2-4-9/h7,9H,1-6,13-14H2.
What are the key properties of 1-(2-aminoacetyl)-5-(aminomethyl)-3-cyclopentylpyrimidine-2,4-dione?
1-(2-aminoacetyl)-5-(aminomethyl)-3-cyclopentylpyrimidine-2,4-dione has a molecular weight of 266.30 g/mol, XLogP of -0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoacetyl)-5-(aminomethyl)-3-cyclopentylpyrimidine-2,4-dione is sourced from PubChem (CID 91557933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).