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

C14H16BrN3 — CID 62828650

IUPAC1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]propan-2-amine
SMILESCC(N)Cc1cnc(Cc2ccccc2Br)nc1
InChIInChI=1S/C14H16BrN3/c1-10(16)6-11-8-17-14(18-9-11)7-12-4-2-3-5-13(12)15/h2-5,8-10H,6-7,16H2,1H3
InChIKeyWLJRMNQYEJAQLT-UHFFFAOYSA-N
MW306.21 g/mol
LogP2.72
Rot. Bonds4

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

1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]propan-2-amine (PubChem CID 62828650) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]propan-2-amine
PubChem CID62828650
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]propan-2-amine
SMILESCC(N)Cc1cnc(Cc2ccccc2Br)nc1
InChIInChI=1S/C14H16BrN3/c1-10(16)6-11-8-17-14(18-9-11)7-12-4-2-3-5-13(12)15/h2-5,8-10H,6-7,16H2,1H3
InChIKeyWLJRMNQYEJAQLT-UHFFFAOYSA-N
XLogP2.72
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]butan-2-amine
CID 55118280
1-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]propan-2-amine
CID 62757363
1-[2-[(2-bromophenyl)methoxy]phenyl]propan-2-amine
CID 54930668
1-[4-[(2-bromophenyl)methoxy]-3,5-difluorophenyl]propan-2-amine
CID 79882528
(2R)-1-(3-bromo-2-fluorophenyl)propan-2-amine
CID 130682344
1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]ethanamine
CID 62830366
5-bromo-2-[(2-bromophenyl)methyl]-N-ethylpyrimidin-4-amine
CID 66302872
1-[2-(2-chlorophenyl)pyrimidin-5-yl]propan-2-amine
CID 62755555
1-[2-[(2-bromophenyl)methoxy]-6-chlorophenyl]propan-2-amine
CID 114321926
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
1-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 62828439
1-[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]propan-2-amine
CID 82803660

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]propan-2-amine?
The IUPAC name of 1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]propan-2-amine (CID 62828650) is 1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]propan-2-amine.
What is the SMILES notation for 1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]propan-2-amine?
The canonical SMILES for 1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]propan-2-amine is CC(N)Cc1cnc(Cc2ccccc2Br)nc1.
What is the InChIKey of 1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]propan-2-amine?
The InChIKey is WLJRMNQYEJAQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-10(16)6-11-8-17-14(18-9-11)7-12-4-2-3-5-13(12)15/h2-5,8-10H,6-7,16H2,1H3.
What are the key properties of 1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]propan-2-amine?
1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]propan-2-amine has a molecular weight of 306.21 g/mol, XLogP of 2.72, 4 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]propan-2-amine is sourced from PubChem (CID 62828650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).