1-[2-methoxy-4-(6-methylpyrimidin-4-yl)oxyphenyl]propan-2-amine

C15H19N3O2 — CID 16643303

IUPAC1-[2-methoxy-4-(6-methylpyrimidin-4-yl)oxyphenyl]propan-2-amine
SMILESCOc1cc(Oc2cc(C)ncn2)ccc1CC(C)N
InChIInChI=1S/C15H19N3O2/c1-10(16)6-12-4-5-13(8-14(12)19-3)20-15-7-11(2)17-9-18-15/h4-5,7-10H,6,16H2,1-3H3
InChIKeyKADDTPYOINMGKK-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.48
Rot. Bonds5

About 1-[2-methoxy-4-(6-methylpyrimidin-4-yl)oxyphenyl]propan-2-amine

1-[2-methoxy-4-(6-methylpyrimidin-4-yl)oxyphenyl]propan-2-amine (PubChem CID 16643303) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[2-methoxy-4-(6-methylpyrimidin-4-yl)oxyphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-methoxy-4-(6-methylpyrimidin-4-yl)oxyphenyl]propan-2-amine
PubChem CID16643303
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[2-methoxy-4-(6-methylpyrimidin-4-yl)oxyphenyl]propan-2-amine
SMILESCOc1cc(Oc2cc(C)ncn2)ccc1CC(C)N
InChIInChI=1S/C15H19N3O2/c1-10(16)6-12-4-5-13(8-14(12)19-3)20-15-7-11(2)17-9-18-15/h4-5,7-10H,6,16H2,1-3H3
InChIKeyKADDTPYOINMGKK-UHFFFAOYSA-N
XLogP2.48
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-4-(6-methylpyrimidin-4-yl)oxyaniline
CID 69194647
1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]ethanamine
CID 16643300
methyl 2-[4-(6-methylpyrimidin-4-yl)oxyphenyl]acetate
CID 91179708
4-(6-methylpyrimidin-4-yl)oxyphenol
CID 61224161
1-[4-(2-methoxyphenoxy)-2-methylphenyl]propan-2-amine
CID 63803634
1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 61269478
4-(4-bromo-3-methylphenoxy)-6-methylpyrimidine
CID 81334328
1-(2-butan-2-yloxy-4-methoxyphenyl)propan-2-amine
CID 61269298
1-[4-(4-fluorophenoxy)-2-methylphenyl]propan-2-amine
CID 63801756
3-[2-(2-aminopropyl)-5-methoxyphenoxy]propanamide
CID 61269487
1-(2-but-3-ynoxy-4-methoxyphenyl)propan-2-amine
CID 61269126
1-[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]propan-2-amine
CID 61269127

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-4-(6-methylpyrimidin-4-yl)oxyphenyl]propan-2-amine?
The IUPAC name of 1-[2-methoxy-4-(6-methylpyrimidin-4-yl)oxyphenyl]propan-2-amine (CID 16643303) is 1-[2-methoxy-4-(6-methylpyrimidin-4-yl)oxyphenyl]propan-2-amine.
What is the SMILES notation for 1-[2-methoxy-4-(6-methylpyrimidin-4-yl)oxyphenyl]propan-2-amine?
The canonical SMILES for 1-[2-methoxy-4-(6-methylpyrimidin-4-yl)oxyphenyl]propan-2-amine is COc1cc(Oc2cc(C)ncn2)ccc1CC(C)N.
What is the InChIKey of 1-[2-methoxy-4-(6-methylpyrimidin-4-yl)oxyphenyl]propan-2-amine?
The InChIKey is KADDTPYOINMGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(16)6-12-4-5-13(8-14(12)19-3)20-15-7-11(2)17-9-18-15/h4-5,7-10H,6,16H2,1-3H3.
What are the key properties of 1-[2-methoxy-4-(6-methylpyrimidin-4-yl)oxyphenyl]propan-2-amine?
1-[2-methoxy-4-(6-methylpyrimidin-4-yl)oxyphenyl]propan-2-amine has a molecular weight of 273.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-4-(6-methylpyrimidin-4-yl)oxyphenyl]propan-2-amine is sourced from PubChem (CID 16643303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).