2-amino-4-[[benzyl(2-methoxyethyl)amino]methyl]-1H-pyrimidin-6-one

C15H20N4O2 — CID 137289628

IUPAC2-amino-4-[[benzyl(2-methoxyethyl)amino]methyl]-1H-pyrimidin-6-one
SMILESCOCCN(Cc1ccccc1)Cc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C15H20N4O2/c1-21-8-7-19(10-12-5-3-2-4-6-12)11-13-9-14(20)18-15(16)17-13/h2-6,9H,7-8,10-11H2,1H3,(H3,16,17,18,20)
InChIKeySTGLOTPMNGHABS-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.00
Rot. Bonds7

About 2-amino-4-[[benzyl(2-methoxyethyl)amino]methyl]-1H-pyrimidin-6-one

2-amino-4-[[benzyl(2-methoxyethyl)amino]methyl]-1H-pyrimidin-6-one (PubChem CID 137289628) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-amino-4-[[benzyl(2-methoxyethyl)amino]methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[[benzyl(2-methoxyethyl)amino]methyl]-1H-pyrimidin-6-one
PubChem CID137289628
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-amino-4-[[benzyl(2-methoxyethyl)amino]methyl]-1H-pyrimidin-6-one
SMILESCOCCN(Cc1ccccc1)Cc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C15H20N4O2/c1-21-8-7-19(10-12-5-3-2-4-6-12)11-13-9-14(20)18-15(16)17-13/h2-6,9H,7-8,10-11H2,1H3,(H3,16,17,18,20)
InChIKeySTGLOTPMNGHABS-UHFFFAOYSA-N
XLogP1.00
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[[benzyl(2-methoxyethyl)amino]methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[[benzyl(2-methoxyethyl)amino]methyl]-1H-pyrimidin-6-one (CID 137289628) is 2-amino-4-[[benzyl(2-methoxyethyl)amino]methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[[benzyl(2-methoxyethyl)amino]methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[[benzyl(2-methoxyethyl)amino]methyl]-1H-pyrimidin-6-one is COCCN(Cc1ccccc1)Cc1cc(=O)[nH]c(N)n1.
What is the InChIKey of 2-amino-4-[[benzyl(2-methoxyethyl)amino]methyl]-1H-pyrimidin-6-one?
The InChIKey is STGLOTPMNGHABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-21-8-7-19(10-12-5-3-2-4-6-12)11-13-9-14(20)18-15(16)17-13/h2-6,9H,7-8,10-11H2,1H3,(H3,16,17,18,20).
What are the key properties of 2-amino-4-[[benzyl(2-methoxyethyl)amino]methyl]-1H-pyrimidin-6-one?
2-amino-4-[[benzyl(2-methoxyethyl)amino]methyl]-1H-pyrimidin-6-one has a molecular weight of 288.35 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[[benzyl(2-methoxyethyl)amino]methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137289628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).