1-(4-bromophenyl)-N-(pyrimidin-5-ylmethyl)methanamine

C12H12BrN3 — CID 62760618

IUPAC1-(4-bromophenyl)-N-(pyrimidin-5-ylmethyl)methanamine
SMILESBrc1ccc(CNCc2cncnc2)cc1
InChIInChI=1S/C12H12BrN3/c13-12-3-1-10(2-4-12)5-14-6-11-7-15-9-16-8-11/h1-4,7-9,14H,5-6H2
InChIKeyPFYMEHDAWUPEIA-UHFFFAOYSA-N
MW278.15 g/mol
LogP2.53
Rot. Bonds4

About 1-(4-bromophenyl)-N-(pyrimidin-5-ylmethyl)methanamine

1-(4-bromophenyl)-N-(pyrimidin-5-ylmethyl)methanamine (PubChem CID 62760618) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(pyrimidin-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(pyrimidin-5-ylmethyl)methanamine
PubChem CID62760618
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name1-(4-bromophenyl)-N-(pyrimidin-5-ylmethyl)methanamine
SMILESBrc1ccc(CNCc2cncnc2)cc1
InChIInChI=1S/C12H12BrN3/c13-12-3-1-10(2-4-12)5-14-6-11-7-15-9-16-8-11/h1-4,7-9,14H,5-6H2
InChIKeyPFYMEHDAWUPEIA-UHFFFAOYSA-N
XLogP2.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62759131
1-(4-bromophenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 834417
1-(4-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62760159
1-(4-bromophenyl)-N-(1,3-oxazol-2-ylmethyl)methanamine
CID 71742357
2-[(pyrimidin-5-ylmethylamino)methyl]phenol
CID 115607845
N-[(5-bromo-3-pyridinyl)methyl]-1-pyridin-4-ylmethanamine
CID 115745327
4-bromo-2-chloro-N-(pyrimidin-5-ylmethyl)aniline
CID 62758955
N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine
CID 60781344
2-bromo-N-(pyrimidin-5-ylmethyl)prop-2-en-1-amine
CID 115614740
2,6-dibromo-4-[[(4-bromophenyl)methylamino]methyl]phenol
CID 107740485
1-(5-chlorothiophen-2-yl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 63001164
2-bromo-4-[[(4-bromophenyl)methylamino]methyl]phenol
CID 63044819

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(pyrimidin-5-ylmethyl)methanamine?
The IUPAC name of 1-(4-bromophenyl)-N-(pyrimidin-5-ylmethyl)methanamine (CID 62760618) is 1-(4-bromophenyl)-N-(pyrimidin-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-(pyrimidin-5-ylmethyl)methanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-(pyrimidin-5-ylmethyl)methanamine is Brc1ccc(CNCc2cncnc2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-(pyrimidin-5-ylmethyl)methanamine?
The InChIKey is PFYMEHDAWUPEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c13-12-3-1-10(2-4-12)5-14-6-11-7-15-9-16-8-11/h1-4,7-9,14H,5-6H2.
What are the key properties of 1-(4-bromophenyl)-N-(pyrimidin-5-ylmethyl)methanamine?
1-(4-bromophenyl)-N-(pyrimidin-5-ylmethyl)methanamine has a molecular weight of 278.15 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(pyrimidin-5-ylmethyl)methanamine is sourced from PubChem (CID 62760618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).