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

C15H17N3O3 — CID 103568254

IUPAC4-[3-(aminomethyl)-5-methoxyphenoxy]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCOc1cc(CN)cc(Oc2cc(=O)[nH]c(C3CC3)n2)c1
InChIInChI=1S/C15H17N3O3/c1-20-11-4-9(8-16)5-12(6-11)21-14-7-13(19)17-15(18-14)10-2-3-10/h4-7,10H,2-3,8,16H2,1H3,(H,17,18,19)
InChIKeyBNNRQYPDFDIRGO-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.91
Rot. Bonds5

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

4-[3-(aminomethyl)-5-methoxyphenoxy]-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 103568254) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[3-(aminomethyl)-5-methoxyphenoxy]-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(aminomethyl)-5-methoxyphenoxy]-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID103568254
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name4-[3-(aminomethyl)-5-methoxyphenoxy]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCOc1cc(CN)cc(Oc2cc(=O)[nH]c(C3CC3)n2)c1
InChIInChI=1S/C15H17N3O3/c1-20-11-4-9(8-16)5-12(6-11)21-14-7-13(19)17-15(18-14)10-2-3-10/h4-7,10H,2-3,8,16H2,1H3,(H,17,18,19)
InChIKeyBNNRQYPDFDIRGO-UHFFFAOYSA-N
XLogP1.91
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(aminomethyl)-5-methoxyphenoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 103568180
2-cyclopropyl-4-(3-methylphenoxy)-1H-pyrimidin-6-one
CID 103241116
4-[2-(aminomethyl)-4-bromophenoxy]-2-cyclopropyl-1H-pyrimidin-6-one
CID 114585999
2-cyclopropyl-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
CID 103240890
2-cyclopropyl-4-(2,4-dimethylphenoxy)-1H-pyrimidin-6-one
CID 103240966
2-cyclopropyl-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one
CID 103241636
2-cyclopropyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
CID 103241188
4-(1,3-benzodioxol-5-yloxy)-2-cyclopropyl-1H-pyrimidin-6-one
CID 103241257
2-cyclopropyl-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one
CID 103240480
4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-cyclopropyl-1H-pyrimidin-6-one
CID 114586522
2-cyclopropyl-4-(2,3-dimethylphenoxy)-1H-pyrimidin-6-one
CID 103241006
2-cyclopropyl-4-(5-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one
CID 103242112

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)-5-methoxyphenoxy]-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(aminomethyl)-5-methoxyphenoxy]-2-cyclopropyl-1H-pyrimidin-6-one (CID 103568254) is 4-[3-(aminomethyl)-5-methoxyphenoxy]-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(aminomethyl)-5-methoxyphenoxy]-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(aminomethyl)-5-methoxyphenoxy]-2-cyclopropyl-1H-pyrimidin-6-one is COc1cc(CN)cc(Oc2cc(=O)[nH]c(C3CC3)n2)c1.
What is the InChIKey of 4-[3-(aminomethyl)-5-methoxyphenoxy]-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is BNNRQYPDFDIRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-20-11-4-9(8-16)5-12(6-11)21-14-7-13(19)17-15(18-14)10-2-3-10/h4-7,10H,2-3,8,16H2,1H3,(H,17,18,19).
What are the key properties of 4-[3-(aminomethyl)-5-methoxyphenoxy]-2-cyclopropyl-1H-pyrimidin-6-one?
4-[3-(aminomethyl)-5-methoxyphenoxy]-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 287.32 g/mol, XLogP of 1.91, 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-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 103568254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).