5-amino-4-[4-(aminomethyl)-2,6-dimethylphenoxy]-1H-pyrimidin-6-one

C13H16N4O2 — CID 114585960

IUPAC5-amino-4-[4-(aminomethyl)-2,6-dimethylphenoxy]-1H-pyrimidin-6-one
SMILESCc1cc(CN)cc(C)c1Oc1nc[nH]c(=O)c1N
InChIInChI=1S/C13H16N4O2/c1-7-3-9(5-14)4-8(2)11(7)19-13-10(15)12(18)16-6-17-13/h3-4,6H,5,14-15H2,1-2H3,(H,16,17,18)
InChIKeyLOUNQHNGLJNPCT-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.22
Rot. Bonds3

About 5-amino-4-[4-(aminomethyl)-2,6-dimethylphenoxy]-1H-pyrimidin-6-one

5-amino-4-[4-(aminomethyl)-2,6-dimethylphenoxy]-1H-pyrimidin-6-one (PubChem CID 114585960) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-amino-4-[4-(aminomethyl)-2,6-dimethylphenoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[4-(aminomethyl)-2,6-dimethylphenoxy]-1H-pyrimidin-6-one
PubChem CID114585960
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name5-amino-4-[4-(aminomethyl)-2,6-dimethylphenoxy]-1H-pyrimidin-6-one
SMILESCc1cc(CN)cc(C)c1Oc1nc[nH]c(=O)c1N
InChIInChI=1S/C13H16N4O2/c1-7-3-9(5-14)4-8(2)11(7)19-13-10(15)12(18)16-6-17-13/h3-4,6H,5,14-15H2,1-2H3,(H,16,17,18)
InChIKeyLOUNQHNGLJNPCT-UHFFFAOYSA-N
XLogP1.22
TPSA107.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[4-(aminomethyl)-2,6-dimethylphenoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[4-(aminomethyl)-2,6-dimethylphenoxy]-1H-pyrimidin-6-one (CID 114585960) is 5-amino-4-[4-(aminomethyl)-2,6-dimethylphenoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[4-(aminomethyl)-2,6-dimethylphenoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[4-(aminomethyl)-2,6-dimethylphenoxy]-1H-pyrimidin-6-one is Cc1cc(CN)cc(C)c1Oc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[4-(aminomethyl)-2,6-dimethylphenoxy]-1H-pyrimidin-6-one?
The InChIKey is LOUNQHNGLJNPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-7-3-9(5-14)4-8(2)11(7)19-13-10(15)12(18)16-6-17-13/h3-4,6H,5,14-15H2,1-2H3,(H,16,17,18).
What are the key properties of 5-amino-4-[4-(aminomethyl)-2,6-dimethylphenoxy]-1H-pyrimidin-6-one?
5-amino-4-[4-(aminomethyl)-2,6-dimethylphenoxy]-1H-pyrimidin-6-one has a molecular weight of 260.30 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[4-(aminomethyl)-2,6-dimethylphenoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114585960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).