4-[4-(aminomethyl)phenoxy]-2-propan-2-yl-1H-pyrimidin-6-one

C14H17N3O2 — CID 114585914

IUPAC4-[4-(aminomethyl)phenoxy]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(Oc2ccc(CN)cc2)cc(=O)[nH]1
InChIInChI=1S/C14H17N3O2/c1-9(2)14-16-12(18)7-13(17-14)19-11-5-3-10(8-15)4-6-11/h3-7,9H,8,15H2,1-2H3,(H,16,17,18)
InChIKeyXZALVHCNUNVJQX-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.14
Rot. Bonds4

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

4-[4-(aminomethyl)phenoxy]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 114585914) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[4-(aminomethyl)phenoxy]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(aminomethyl)phenoxy]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID114585914
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-[4-(aminomethyl)phenoxy]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(Oc2ccc(CN)cc2)cc(=O)[nH]1
InChIInChI=1S/C14H17N3O2/c1-9(2)14-16-12(18)7-13(17-14)19-11-5-3-10(8-15)4-6-11/h3-7,9H,8,15H2,1-2H3,(H,16,17,18)
InChIKeyXZALVHCNUNVJQX-UHFFFAOYSA-N
XLogP2.14
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241209
4-[3-(aminomethyl)-5-methoxyphenoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 103568180
2-[4-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)oxy]phenyl]acetic acid
CID 114585630
4-(4-bromophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 114574312
4-[4-(aminomethyl)-2,6-dimethylphenoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 114585964
4-(3-amino-5-bromophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103589203
4-(2-amino-6-fluorophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 114578866
4-(5-amino-2-bromophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103011768
4-(2-amino-4,5-dichlorophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 107501039
4-(methoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 135506238
4-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241794
4-[(1-aminocycloheptyl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 114586498

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)phenoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(aminomethyl)phenoxy]-2-propan-2-yl-1H-pyrimidin-6-one (CID 114585914) is 4-[4-(aminomethyl)phenoxy]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(aminomethyl)phenoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(aminomethyl)phenoxy]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(Oc2ccc(CN)cc2)cc(=O)[nH]1.
What is the InChIKey of 4-[4-(aminomethyl)phenoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is XZALVHCNUNVJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9(2)14-16-12(18)7-13(17-14)19-11-5-3-10(8-15)4-6-11/h3-7,9H,8,15H2,1-2H3,(H,16,17,18).
What are the key properties of 4-[4-(aminomethyl)phenoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[4-(aminomethyl)phenoxy]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 259.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)phenoxy]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 114585914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).