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

C8H13N3O2 — CID 63553557

IUPAC2-(1-aminoethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C(C)N)[nH]c1=O
InChIInChI=1S/C8H13N3O2/c1-3-5-7(12)10-6(4(2)9)11-8(5)13/h4H,3,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyGCPZICZDCPBYGX-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.06
Rot. Bonds2

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

2-(1-aminoethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 63553557) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID63553557
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-(1-aminoethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C(C)N)[nH]c1=O
InChIInChI=1S/C8H13N3O2/c1-3-5-7(12)10-6(4(2)9)11-8(5)13/h4H,3,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyGCPZICZDCPBYGX-UHFFFAOYSA-N
XLogP0.06
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-aminoethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (CID 63553557) is 2-(1-aminoethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-aminoethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-aminoethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is CCc1c(O)nc(C(C)N)[nH]c1=O.
What is the InChIKey of 2-(1-aminoethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is GCPZICZDCPBYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-3-5-7(12)10-6(4(2)9)11-8(5)13/h4H,3,9H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 2-(1-aminoethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
2-(1-aminoethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of 0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 63553557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).