1-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxy-N-methylpropan-2-amine

C15H19N3O2 — CID 117231190

IUPAC1-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxy-N-methylpropan-2-amine
SMILESCNC(C)COc1cnc(-c2cccc(OC)c2)nc1
InChIInChI=1S/C15H19N3O2/c1-11(16-2)10-20-14-8-17-15(18-9-14)12-5-4-6-13(7-12)19-3/h4-9,11,16H,10H2,1-3H3
InChIKeyGEZXWSPFFKAOBH-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.14
Rot. Bonds6

About 1-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxy-N-methylpropan-2-amine

1-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxy-N-methylpropan-2-amine (PubChem CID 117231190) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxy-N-methylpropan-2-amine
PubChem CID117231190
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxy-N-methylpropan-2-amine
SMILESCNC(C)COc1cnc(-c2cccc(OC)c2)nc1
InChIInChI=1S/C15H19N3O2/c1-11(16-2)10-20-14-8-17-15(18-9-14)12-5-4-6-13(7-12)19-3/h4-9,11,16H,10H2,1-3H3
InChIKeyGEZXWSPFFKAOBH-UHFFFAOYSA-N
XLogP2.14
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxyethanol
CID 117230603
2-(3-methoxyphenyl)-N-methylpyrimidin-5-amine
CID 83886658
2-(3-methoxyphenyl)-5-methylpyrimidine
CID 121432653
5-(2-methoxyphenoxy)-2-(3-methoxyphenyl)pyrimidine
CID 150700013
N'-[2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212327
N-[[2-(3-methoxyphenyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 62755519
1-(3-chlorophenoxy)-N-methylpropan-2-amine
CID 112692970
5-methoxy-2-(3-methylphenyl)pyrimidine
CID 91581567
1-[2-(3-methoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine
CID 62748257
N'-[2-(3-methoxyphenyl)-4-propan-2-ylpyrimidin-5-yl]ethane-1,2-diamine
CID 117212084
[3-(5-methoxypyrimidin-2-yl)phenyl]methanol
CID 155039512
2-(3-methoxyphenyl)-4-methylpyrimidine-5-carbaldehyde
CID 82288198

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxy-N-methylpropan-2-amine?
The IUPAC name of 1-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxy-N-methylpropan-2-amine (CID 117231190) is 1-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxy-N-methylpropan-2-amine.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxy-N-methylpropan-2-amine?
The canonical SMILES for 1-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxy-N-methylpropan-2-amine is CNC(C)COc1cnc(-c2cccc(OC)c2)nc1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxy-N-methylpropan-2-amine?
The InChIKey is GEZXWSPFFKAOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11(16-2)10-20-14-8-17-15(18-9-14)12-5-4-6-13(7-12)19-3/h4-9,11,16H,10H2,1-3H3.
What are the key properties of 1-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxy-N-methylpropan-2-amine?
1-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxy-N-methylpropan-2-amine has a molecular weight of 273.34 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxy-N-methylpropan-2-amine is sourced from PubChem (CID 117231190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).