2-(2-aminoethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one

C9H16N4O2 — CID 136925171

IUPAC2-(2-aminoethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCN)[nH]c(=O)c1CCO
InChIInChI=1S/C9H16N4O2/c1-6-7(2-5-14)8(15)13-9(12-6)11-4-3-10/h14H,2-5,10H2,1H3,(H2,11,12,13,15)
InChIKeyGEJBMNXRAWNPPW-UHFFFAOYSA-N
MW212.25 g/mol
LogP-1.02
Rot. Bonds5

About 2-(2-aminoethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one

2-(2-aminoethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136925171) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-aminoethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136925171
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name2-(2-aminoethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCN)[nH]c(=O)c1CCO
InChIInChI=1S/C9H16N4O2/c1-6-7(2-5-14)8(15)13-9(12-6)11-4-3-10/h14H,2-5,10H2,1H3,(H2,11,12,13,15)
InChIKeyGEJBMNXRAWNPPW-UHFFFAOYSA-N
XLogP-1.02
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-aminoethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one (CID 136925171) is 2-(2-aminoethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-aminoethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-aminoethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one is Cc1nc(NCCN)[nH]c(=O)c1CCO.
What is the InChIKey of 2-(2-aminoethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is GEJBMNXRAWNPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-6-7(2-5-14)8(15)13-9(12-6)11-4-3-10/h14H,2-5,10H2,1H3,(H2,11,12,13,15).
What are the key properties of 2-(2-aminoethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
2-(2-aminoethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 212.25 g/mol, XLogP of -1.02, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136925171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).