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

C9H15N3O2 — CID 63554100

IUPAC2-(2-aminoethyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(CCN)[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-2-3-6-8(13)11-7(4-5-10)12-9(6)14/h2-5,10H2,1H3,(H2,11,12,13,14)
InChIKeyMAGCQTBLFQMVFH-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.07
Rot. Bonds4

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

2-(2-aminoethyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (PubChem CID 63554100) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
PubChem CID63554100
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(2-aminoethyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(CCN)[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-2-3-6-8(13)11-7(4-5-10)12-9(6)14/h2-5,10H2,1H3,(H2,11,12,13,14)
InChIKeyMAGCQTBLFQMVFH-UHFFFAOYSA-N
XLogP-0.07
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-aminoethyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (CID 63554100) is 2-(2-aminoethyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-aminoethyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-aminoethyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(CCN)[nH]c1=O.
What is the InChIKey of 2-(2-aminoethyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The InChIKey is MAGCQTBLFQMVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-3-6-8(13)11-7(4-5-10)12-9(6)14/h2-5,10H2,1H3,(H2,11,12,13,14).
What are the key properties of 2-(2-aminoethyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
2-(2-aminoethyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of -0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63554100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).