6-[3-(2-aminoethyl)hexyl]-1H-pyrimidine-2,4-dione

C12H21N3O2 — CID 67221348

IUPAC6-[3-(2-aminoethyl)hexyl]-1H-pyrimidine-2,4-dione
SMILESCCCC(CCN)CCc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H21N3O2/c1-2-3-9(6-7-13)4-5-10-8-11(16)15-12(17)14-10/h8-9H,2-7,13H2,1H3,(H2,14,15,16,17)
InChIKeyHCSFAWGFPAGRAZ-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.76
Rot. Bonds7

About 6-[3-(2-aminoethyl)hexyl]-1H-pyrimidine-2,4-dione

6-[3-(2-aminoethyl)hexyl]-1H-pyrimidine-2,4-dione (PubChem CID 67221348) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-[3-(2-aminoethyl)hexyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[3-(2-aminoethyl)hexyl]-1H-pyrimidine-2,4-dione
PubChem CID67221348
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name6-[3-(2-aminoethyl)hexyl]-1H-pyrimidine-2,4-dione
SMILESCCCC(CCN)CCc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H21N3O2/c1-2-3-9(6-7-13)4-5-10-8-11(16)15-12(17)14-10/h8-9H,2-7,13H2,1H3,(H2,14,15,16,17)
InChIKeyHCSFAWGFPAGRAZ-UHFFFAOYSA-N
XLogP0.76
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-aminoethyl)hexyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[3-(2-aminoethyl)hexyl]-1H-pyrimidine-2,4-dione (CID 67221348) is 6-[3-(2-aminoethyl)hexyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[3-(2-aminoethyl)hexyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[3-(2-aminoethyl)hexyl]-1H-pyrimidine-2,4-dione is CCCC(CCN)CCc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[3-(2-aminoethyl)hexyl]-1H-pyrimidine-2,4-dione?
The InChIKey is HCSFAWGFPAGRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-3-9(6-7-13)4-5-10-8-11(16)15-12(17)14-10/h8-9H,2-7,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 6-[3-(2-aminoethyl)hexyl]-1H-pyrimidine-2,4-dione?
6-[3-(2-aminoethyl)hexyl]-1H-pyrimidine-2,4-dione has a molecular weight of 239.32 g/mol, XLogP of 0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-aminoethyl)hexyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 67221348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).