1-(3-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine

C13H15N3O — CID 62760836

IUPAC1-(3-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine
SMILESCOc1cccc(CNCc2cncnc2)c1
InChIInChI=1S/C13H15N3O/c1-17-13-4-2-3-11(5-13)6-14-7-12-8-15-10-16-9-12/h2-5,8-10,14H,6-7H2,1H3
InChIKeyYOMBBCDGHMGZOR-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.77
Rot. Bonds5

About 1-(3-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine

1-(3-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine (PubChem CID 62760836) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine
PubChem CID62760836
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-(3-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine
SMILESCOc1cccc(CNCc2cncnc2)c1
InChIInChI=1S/C13H15N3O/c1-17-13-4-2-3-11(5-13)6-14-7-12-8-15-10-16-9-12/h2-5,8-10,14H,6-7H2,1H3
InChIKeyYOMBBCDGHMGZOR-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

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Related Compounds

1-(3-ethoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760835
N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 54940038
4-[[(3-methoxyphenyl)methylamino]methyl]pyrimidine-5-carboxylic acid
CID 103239885
1-(3-methoxyphenyl)-N-[(2,3,4,5,6-pentadeuteriophenyl)methyl]methanamine
CID 165111805
1-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962176
N-(hydrazinylmethyl)-1-(3-methoxyphenyl)methanamine
CID 115260862
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 738572
1-(3-methoxyphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884458
2-(3-methoxyphenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 107852234
N-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-(3-methoxyphenyl)methanamine
CID 154735624
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666
ethane;1-(3-methoxyphenyl)-N-methylmethanamine
CID 142908093

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine?
The IUPAC name of 1-(3-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine (CID 62760836) is 1-(3-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine is COc1cccc(CNCc2cncnc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine?
The InChIKey is YOMBBCDGHMGZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-17-13-4-2-3-11(5-13)6-14-7-12-8-15-10-16-9-12/h2-5,8-10,14H,6-7H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine?
1-(3-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)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 1-(3-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine is sourced from PubChem (CID 62760836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).