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

C15H18BrN3 — CID 55118280

IUPAC1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]butan-2-amine
SMILESCCC(N)Cc1cnc(Cc2ccccc2Br)nc1
InChIInChI=1S/C15H18BrN3/c1-2-13(17)7-11-9-18-15(19-10-11)8-12-5-3-4-6-14(12)16/h3-6,9-10,13H,2,7-8,17H2,1H3
InChIKeyVYFSTMHSFBLGOV-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.11
Rot. Bonds5

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

1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]butan-2-amine (PubChem CID 55118280) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]butan-2-amine.

Molecular Properties

Compound Name1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]butan-2-amine
PubChem CID55118280
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]butan-2-amine
SMILESCCC(N)Cc1cnc(Cc2ccccc2Br)nc1
InChIInChI=1S/C15H18BrN3/c1-2-13(17)7-11-9-18-15(19-10-11)8-12-5-3-4-6-14(12)16/h3-6,9-10,13H,2,7-8,17H2,1H3
InChIKeyVYFSTMHSFBLGOV-UHFFFAOYSA-N
XLogP3.11
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]propan-2-amine
CID 62828650
1-[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]butan-2-amine
CID 55113743
1-[2-(2-methylpropyl)pyrimidin-5-yl]butan-2-amine
CID 62757730
1-[2-[(4-bromophenyl)sulfanylmethyl]pyrimidin-5-yl]butan-2-amine
CID 66055534
5-bromo-2-[(2-bromophenyl)methyl]-N-ethylpyrimidin-4-amine
CID 66302872
1-[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]butan-2-amine
CID 115958837
1-(2-bromo-3-pyridinyl)butan-2-amine;hydrochloride
CID 170889228
1-[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]butan-2-amine
CID 116779261
1-[2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]butan-2-amine
CID 65137031
1-(3-bromo-2-propoxyphenyl)butan-2-amine
CID 61392389
1-[2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-5-yl]butan-2-amine
CID 66071499
1-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349792

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]butan-2-amine?
The IUPAC name of 1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]butan-2-amine (CID 55118280) is 1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]butan-2-amine.
What is the SMILES notation for 1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]butan-2-amine?
The canonical SMILES for 1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]butan-2-amine is CCC(N)Cc1cnc(Cc2ccccc2Br)nc1.
What is the InChIKey of 1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]butan-2-amine?
The InChIKey is VYFSTMHSFBLGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-2-13(17)7-11-9-18-15(19-10-11)8-12-5-3-4-6-14(12)16/h3-6,9-10,13H,2,7-8,17H2,1H3.
What are the key properties of 1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]butan-2-amine?
1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]butan-2-amine has a molecular weight of 320.23 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]butan-2-amine is sourced from PubChem (CID 55118280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).