N-methyl-1-[4-(pyrimidin-2-ylmethoxy)phenyl]methanamine

C13H15N3O — CID 62698762

IUPACN-methyl-1-[4-(pyrimidin-2-ylmethoxy)phenyl]methanamine
SMILESCNCc1ccc(OCc2ncccn2)cc1
InChIInChI=1S/C13H15N3O/c1-14-9-11-3-5-12(6-4-11)17-10-13-15-7-2-8-16-13/h2-8,14H,9-10H2,1H3
InChIKeyFBUFXIJDVPCTLK-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.77
Rot. Bonds5

About N-methyl-1-[4-(pyrimidin-2-ylmethoxy)phenyl]methanamine

N-methyl-1-[4-(pyrimidin-2-ylmethoxy)phenyl]methanamine (PubChem CID 62698762) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-methyl-1-[4-(pyrimidin-2-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(pyrimidin-2-ylmethoxy)phenyl]methanamine
PubChem CID62698762
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-methyl-1-[4-(pyrimidin-2-ylmethoxy)phenyl]methanamine
SMILESCNCc1ccc(OCc2ncccn2)cc1
InChIInChI=1S/C13H15N3O/c1-14-9-11-3-5-12(6-4-11)17-10-13-15-7-2-8-16-13/h2-8,14H,9-10H2,1H3
InChIKeyFBUFXIJDVPCTLK-UHFFFAOYSA-N
XLogP1.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[4-(pyrimidin-2-ylmethoxy)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-bromo-4-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 55145987
N-methyl-1-[4-(pyrazin-2-ylmethoxy)phenyl]methanamine
CID 106486252
1-[4-[(4-iodophenyl)methoxy]phenyl]-N-methylmethanamine
CID 65499941
2-[4-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 103520351
N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
CID 60880617
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 6458719
1-[4-[(3-bromophenyl)methoxy]phenyl]-N-methylmethanamine
CID 60880082
1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 107305705
N-methyl-1-[4-propoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 62700076
N-methyl-1-(4-prop-2-ynoxyphenyl)methanamine
CID 60809338
methyl 4-[[4-(methylaminomethyl)phenoxy]methyl]benzoate
CID 60880616
1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 104791273

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(pyrimidin-2-ylmethoxy)phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-(pyrimidin-2-ylmethoxy)phenyl]methanamine (CID 62698762) is N-methyl-1-[4-(pyrimidin-2-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(pyrimidin-2-ylmethoxy)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-(pyrimidin-2-ylmethoxy)phenyl]methanamine is CNCc1ccc(OCc2ncccn2)cc1.
What is the InChIKey of N-methyl-1-[4-(pyrimidin-2-ylmethoxy)phenyl]methanamine?
The InChIKey is FBUFXIJDVPCTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-14-9-11-3-5-12(6-4-11)17-10-13-15-7-2-8-16-13/h2-8,14H,9-10H2,1H3.
What are the key properties of N-methyl-1-[4-(pyrimidin-2-ylmethoxy)phenyl]methanamine?
N-methyl-1-[4-(pyrimidin-2-ylmethoxy)phenyl]methanamine has a molecular weight of 229.28 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(pyrimidin-2-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 62698762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).