1-[2-[(4-bromophenyl)methyl]pyrimidin-4-yl]-N-methylmethanamine

C13H14BrN3 — CID 62748086

IUPAC1-[2-[(4-bromophenyl)methyl]pyrimidin-4-yl]-N-methylmethanamine
SMILESCNCc1ccnc(Cc2ccc(Br)cc2)n1
InChIInChI=1S/C13H14BrN3/c1-15-9-12-6-7-16-13(17-12)8-10-2-4-11(14)5-3-10/h2-7,15H,8-9H2,1H3
InChIKeyKQGQWEPFYWAPSF-UHFFFAOYSA-N
MW292.18 g/mol
LogP2.55
Rot. Bonds4

About 1-[2-[(4-bromophenyl)methyl]pyrimidin-4-yl]-N-methylmethanamine

1-[2-[(4-bromophenyl)methyl]pyrimidin-4-yl]-N-methylmethanamine (PubChem CID 62748086) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 1-[2-[(4-bromophenyl)methyl]pyrimidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(4-bromophenyl)methyl]pyrimidin-4-yl]-N-methylmethanamine
PubChem CID62748086
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name1-[2-[(4-bromophenyl)methyl]pyrimidin-4-yl]-N-methylmethanamine
SMILESCNCc1ccnc(Cc2ccc(Br)cc2)n1
InChIInChI=1S/C13H14BrN3/c1-15-9-12-6-7-16-13(17-12)8-10-2-4-11(14)5-3-10/h2-7,15H,8-9H2,1H3
InChIKeyKQGQWEPFYWAPSF-UHFFFAOYSA-N
XLogP2.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)methyl]-N-propylpyrimidin-4-amine
CID 62191844
N-methyl-1-[2-(thiophen-2-ylmethyl)pyrimidin-4-yl]methanamine
CID 62748083
2,4-dibenzylpyrimidine
CID 59375877
1-[2-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-yl]-N-methylmethanamine
CID 82806848
N-[(4-bromophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine
CID 107379910
N-[[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62747758
[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]methanol
CID 62748660
2-[(4-bromophenyl)methyl]-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978166
1-[5-[(4-bromophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 79775958
1-[2-[4-bromo-2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-N-methylmethanamine
CID 62749509
5-(bromomethyl)-2-[(4-bromophenyl)methyl]-4-propan-2-ylpyrimidine
CID 114205767
1-[2-[(4-methylphenyl)methyl]pyrimidin-4-yl]propan-2-amine
CID 62744340

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-bromophenyl)methyl]pyrimidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(4-bromophenyl)methyl]pyrimidin-4-yl]-N-methylmethanamine (CID 62748086) is 1-[2-[(4-bromophenyl)methyl]pyrimidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(4-bromophenyl)methyl]pyrimidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(4-bromophenyl)methyl]pyrimidin-4-yl]-N-methylmethanamine is CNCc1ccnc(Cc2ccc(Br)cc2)n1.
What is the InChIKey of 1-[2-[(4-bromophenyl)methyl]pyrimidin-4-yl]-N-methylmethanamine?
The InChIKey is KQGQWEPFYWAPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-15-9-12-6-7-16-13(17-12)8-10-2-4-11(14)5-3-10/h2-7,15H,8-9H2,1H3.
What are the key properties of 1-[2-[(4-bromophenyl)methyl]pyrimidin-4-yl]-N-methylmethanamine?
1-[2-[(4-bromophenyl)methyl]pyrimidin-4-yl]-N-methylmethanamine has a molecular weight of 292.18 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-bromophenyl)methyl]pyrimidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 62748086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).