N-methyl-1-[3-(5-methylpyrimidin-2-yl)oxyphenyl]methanamine

C13H15N3O — CID 106486575

IUPACN-methyl-1-[3-(5-methylpyrimidin-2-yl)oxyphenyl]methanamine
SMILESCNCc1cccc(Oc2ncc(C)cn2)c1
InChIInChI=1S/C13H15N3O/c1-10-7-15-13(16-8-10)17-12-5-3-4-11(6-12)9-14-2/h3-8,14H,9H2,1-2H3
InChIKeyAJOHPFOFOZJUEC-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.30
Rot. Bonds4

About N-methyl-1-[3-(5-methylpyrimidin-2-yl)oxyphenyl]methanamine

N-methyl-1-[3-(5-methylpyrimidin-2-yl)oxyphenyl]methanamine (PubChem CID 106486575) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-methyl-1-[3-(5-methylpyrimidin-2-yl)oxyphenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(5-methylpyrimidin-2-yl)oxyphenyl]methanamine
PubChem CID106486575
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-methyl-1-[3-(5-methylpyrimidin-2-yl)oxyphenyl]methanamine
SMILESCNCc1cccc(Oc2ncc(C)cn2)c1
InChIInChI=1S/C13H15N3O/c1-10-7-15-13(16-8-10)17-12-5-3-4-11(6-12)9-14-2/h3-8,14H,9H2,1-2H3
InChIKeyAJOHPFOFOZJUEC-UHFFFAOYSA-N
XLogP2.30
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[3-(4-propan-2-yloxypyrimidin-2-yl)oxyphenyl]methanamine
CID 106486516
1-[3-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]-N-methylmethanamine
CID 106486506
N-methyl-1-[3-(1-methylpyrazol-4-yl)oxyphenyl]methanamine
CID 116793113
N-methyl-1-[2-(3-methylphenoxy)-4-pyridinyl]methanamine
CID 55058261
N-methyl-1-(3-prop-2-ynoxyphenyl)methanamine
CID 60883159
1-[3-(3-tert-butylphenoxy)phenyl]-N-methylmethanamine
CID 63942522
ethane;1-(3-methoxyphenyl)-N-methylmethanamine
CID 142908093
N-methyl-1-[3-[(3-methyl-5-nitro-2-pyridinyl)oxy]phenyl]methanamine
CID 106486385
1-[3-(methoxymethoxy)phenyl]-N-methylmethanamine
CID 22931996
N-methyl-1-[3-[(3-methylphenoxy)methyl]phenyl]methanamine
CID 55077028
N-[(3-pyrimidin-2-yloxyphenyl)methyl]propan-2-amine;hydrochloride
CID 17213643
N,N-dimethyl-4-[3-(methylaminomethyl)phenoxy]pyridine-2-carboxamide
CID 106486623

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(5-methylpyrimidin-2-yl)oxyphenyl]methanamine?
The IUPAC name of N-methyl-1-[3-(5-methylpyrimidin-2-yl)oxyphenyl]methanamine (CID 106486575) is N-methyl-1-[3-(5-methylpyrimidin-2-yl)oxyphenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(5-methylpyrimidin-2-yl)oxyphenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-(5-methylpyrimidin-2-yl)oxyphenyl]methanamine is CNCc1cccc(Oc2ncc(C)cn2)c1.
What is the InChIKey of N-methyl-1-[3-(5-methylpyrimidin-2-yl)oxyphenyl]methanamine?
The InChIKey is AJOHPFOFOZJUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10-7-15-13(16-8-10)17-12-5-3-4-11(6-12)9-14-2/h3-8,14H,9H2,1-2H3.
What are the key properties of N-methyl-1-[3-(5-methylpyrimidin-2-yl)oxyphenyl]methanamine?
N-methyl-1-[3-(5-methylpyrimidin-2-yl)oxyphenyl]methanamine has a molecular weight of 229.28 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(5-methylpyrimidin-2-yl)oxyphenyl]methanamine is sourced from PubChem (CID 106486575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).