1-[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]butan-2-amine

C16H21N3O — CID 116779261

IUPAC1-[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]butan-2-amine
SMILESCCC(N)Cc1cnc(C(OC)c2ccccc2)nc1
InChIInChI=1S/C16H21N3O/c1-3-14(17)9-12-10-18-16(19-11-12)15(20-2)13-7-5-4-6-8-13/h4-8,10-11,14-15H,3,9,17H2,1-2H3
InChIKeyUKESUPDMFJMERE-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.49
Rot. Bonds6

About 1-[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]butan-2-amine

1-[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]butan-2-amine (PubChem CID 116779261) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]butan-2-amine.

Molecular Properties

Compound Name1-[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]butan-2-amine
PubChem CID116779261
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]butan-2-amine
SMILESCCC(N)Cc1cnc(C(OC)c2ccccc2)nc1
InChIInChI=1S/C16H21N3O/c1-3-14(17)9-12-10-18-16(19-11-12)15(20-2)13-7-5-4-6-8-13/h4-8,10-11,14-15H,3,9,17H2,1-2H3
InChIKeyUKESUPDMFJMERE-UHFFFAOYSA-N
XLogP2.49
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]methyl]ethanamine
CID 116778851
1-[2-(1-ethoxyethyl)pyrimidin-5-yl]butan-2-amine
CID 64535247
ethyl 2-[methoxy(phenyl)methyl]-4-methylpyrimidine-5-carboxylate
CID 102972511
1-[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]butan-2-amine
CID 55113743
1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]butan-2-amine
CID 55118280
1-[2-(2-methylpropyl)pyrimidin-5-yl]butan-2-amine
CID 62757730
1-(4-phenylphenyl)butan-2-amine
CID 23591877
5-bromo-2-[methoxy(phenyl)methyl]-6-propylpyrimidin-4-amine
CID 116776608
5-(2-aminobutyl)-N-ethyl-N-phenylpyridin-2-amine
CID 80633649
1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 116743797
1-[2-(3-methylphenyl)pyrimidin-5-yl]butan-2-amine
CID 62757551
1-[2-(2-methylbutylsulfanyl)pyrimidin-5-yl]butan-2-amine
CID 107762445

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]butan-2-amine?
The IUPAC name of 1-[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]butan-2-amine (CID 116779261) is 1-[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]butan-2-amine.
What is the SMILES notation for 1-[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]butan-2-amine?
The canonical SMILES for 1-[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]butan-2-amine is CCC(N)Cc1cnc(C(OC)c2ccccc2)nc1.
What is the InChIKey of 1-[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]butan-2-amine?
The InChIKey is UKESUPDMFJMERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-14(17)9-12-10-18-16(19-11-12)15(20-2)13-7-5-4-6-8-13/h4-8,10-11,14-15H,3,9,17H2,1-2H3.
What are the key properties of 1-[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]butan-2-amine?
1-[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]butan-2-amine has a molecular weight of 271.36 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]butan-2-amine is sourced from PubChem (CID 116779261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).