4-[3-(aminomethyl)-5-methoxyphenoxy]-2-propan-2-yl-1H-pyrimidin-6-one

C15H19N3O3 — CID 103568180

IUPAC4-[3-(aminomethyl)-5-methoxyphenoxy]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCOc1cc(CN)cc(Oc2cc(=O)[nH]c(C(C)C)n2)c1
InChIInChI=1S/C15H19N3O3/c1-9(2)15-17-13(19)7-14(18-15)21-12-5-10(8-16)4-11(6-12)20-3/h4-7,9H,8,16H2,1-3H3,(H,17,18,19)
InChIKeyVAFKICUHBVMQJQ-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.15
Rot. Bonds5

About 4-[3-(aminomethyl)-5-methoxyphenoxy]-2-propan-2-yl-1H-pyrimidin-6-one

4-[3-(aminomethyl)-5-methoxyphenoxy]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 103568180) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-[3-(aminomethyl)-5-methoxyphenoxy]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(aminomethyl)-5-methoxyphenoxy]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID103568180
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name4-[3-(aminomethyl)-5-methoxyphenoxy]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCOc1cc(CN)cc(Oc2cc(=O)[nH]c(C(C)C)n2)c1
InChIInChI=1S/C15H19N3O3/c1-9(2)15-17-13(19)7-14(18-15)21-12-5-10(8-16)4-11(6-12)20-3/h4-7,9H,8,16H2,1-3H3,(H,17,18,19)
InChIKeyVAFKICUHBVMQJQ-UHFFFAOYSA-N
XLogP2.15
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)-5-methoxyphenoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(aminomethyl)-5-methoxyphenoxy]-2-propan-2-yl-1H-pyrimidin-6-one (CID 103568180) is 4-[3-(aminomethyl)-5-methoxyphenoxy]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(aminomethyl)-5-methoxyphenoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(aminomethyl)-5-methoxyphenoxy]-2-propan-2-yl-1H-pyrimidin-6-one is COc1cc(CN)cc(Oc2cc(=O)[nH]c(C(C)C)n2)c1.
What is the InChIKey of 4-[3-(aminomethyl)-5-methoxyphenoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is VAFKICUHBVMQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9(2)15-17-13(19)7-14(18-15)21-12-5-10(8-16)4-11(6-12)20-3/h4-7,9H,8,16H2,1-3H3,(H,17,18,19).
What are the key properties of 4-[3-(aminomethyl)-5-methoxyphenoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[3-(aminomethyl)-5-methoxyphenoxy]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 289.34 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)-5-methoxyphenoxy]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 103568180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).