2-(2-aminobutyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

C10H17N3O2 — CID 63555360

IUPAC2-(2-aminobutyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(CC(N)CC)[nH]c1=O
InChIInChI=1S/C10H17N3O2/c1-3-6(11)5-8-12-9(14)7(4-2)10(15)13-8/h6H,3-5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyBDDISFSAWRNDMU-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.32
Rot. Bonds4

About 2-(2-aminobutyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

2-(2-aminobutyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 63555360) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(2-aminobutyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-aminobutyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID63555360
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-(2-aminobutyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(CC(N)CC)[nH]c1=O
InChIInChI=1S/C10H17N3O2/c1-3-6(11)5-8-12-9(14)7(4-2)10(15)13-8/h6H,3-5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyBDDISFSAWRNDMU-UHFFFAOYSA-N
XLogP0.32
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
CID 80550517
2-cyclopropyl-4-hydroxy-5-[3-(methylamino)propyl]-1H-pyrimidin-6-one
CID 57713872
5-[2-[di(propan-2-yl)amino]ethyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one
CID 150858519
acetic acid;2-butyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 160306429
4-hydroxy-2-methyl-5-propyl-1H-pyrimidin-6-one
CID 25420590
2,5-diethyl-4-hydroxy-1H-pyrimidin-6-one
CID 46734407
2-ethyl-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 46734408
5-ethyl-4-hydroxy-2-propyl-1H-pyrimidin-6-one
CID 46734449
4-hydroxy-2,5-dipropyl-1H-pyrimidin-6-one
CID 46734450
2-butyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 46734492
2-butyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 46734493
2-butyl-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 46734494

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-aminobutyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (CID 63555360) is 2-(2-aminobutyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-aminobutyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-aminobutyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is CCc1c(O)nc(CC(N)CC)[nH]c1=O.
What is the InChIKey of 2-(2-aminobutyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is BDDISFSAWRNDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-6(11)5-8-12-9(14)7(4-2)10(15)13-8/h6H,3-5,11H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-(2-aminobutyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
2-(2-aminobutyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 63555360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).