1-[2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]butan-2-amine

C17H23N3O — CID 62745058

IUPAC1-[2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]butan-2-amine
SMILESCCC(N)Cc1cc(C)nc(Cc2ccccc2OC)n1
InChIInChI=1S/C17H23N3O/c1-4-14(18)11-15-9-12(2)19-17(20-15)10-13-7-5-6-8-16(13)21-3/h5-9,14H,4,10-11,18H2,1-3H3
InChIKeyJPUYSCCKIGUYEB-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.66
Rot. Bonds6

About 1-[2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]butan-2-amine

1-[2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]butan-2-amine (PubChem CID 62745058) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]butan-2-amine
PubChem CID62745058
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-[2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]butan-2-amine
SMILESCCC(N)Cc1cc(C)nc(Cc2ccccc2OC)n1
InChIInChI=1S/C17H23N3O/c1-4-14(18)11-15-9-12(2)19-17(20-15)10-13-7-5-6-8-16(13)21-3/h5-9,14H,4,10-11,18H2,1-3H3
InChIKeyJPUYSCCKIGUYEB-UHFFFAOYSA-N
XLogP2.66
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]methanamine
CID 62743741
N,6-diethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 62190751
1-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]propan-2-amine
CID 55114291
2-[2-[(2-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 62746485
(1S)-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine
CID 103432032
[2-[(2-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]methanol
CID 115070027
1-[2-(2-methoxyphenyl)sulfanylphenyl]butan-2-amine
CID 63818198
1-(2-tert-butyl-6-methylpyrimidin-4-yl)butan-2-amine
CID 62745584
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680
[2-[(2-methoxyphenyl)methyl]-5-methylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 82223666
[2-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine
CID 117135053
1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 63350383

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]butan-2-amine?
The IUPAC name of 1-[2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]butan-2-amine (CID 62745058) is 1-[2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]butan-2-amine.
What is the SMILES notation for 1-[2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]butan-2-amine?
The canonical SMILES for 1-[2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]butan-2-amine is CCC(N)Cc1cc(C)nc(Cc2ccccc2OC)n1.
What is the InChIKey of 1-[2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]butan-2-amine?
The InChIKey is JPUYSCCKIGUYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-14(18)11-15-9-12(2)19-17(20-15)10-13-7-5-6-8-16(13)21-3/h5-9,14H,4,10-11,18H2,1-3H3.
What are the key properties of 1-[2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]butan-2-amine?
1-[2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]butan-2-amine has a molecular weight of 285.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]butan-2-amine is sourced from PubChem (CID 62745058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).