1-[2-[(3-bromophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine

C14H16BrN3 — CID 62741909

IUPAC1-[2-[(3-bromophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine
SMILESCNCc1cc(C)nc(Cc2cccc(Br)c2)n1
InChIInChI=1S/C14H16BrN3/c1-10-6-13(9-16-2)18-14(17-10)8-11-4-3-5-12(15)7-11/h3-7,16H,8-9H2,1-2H3
InChIKeyDROJDBIDPINIAL-UHFFFAOYSA-N
MW306.21 g/mol
LogP2.86
Rot. Bonds4

About 1-[2-[(3-bromophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine

1-[2-[(3-bromophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine (PubChem CID 62741909) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 1-[2-[(3-bromophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(3-bromophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine
PubChem CID62741909
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name1-[2-[(3-bromophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine
SMILESCNCc1cc(C)nc(Cc2cccc(Br)c2)n1
InChIInChI=1S/C14H16BrN3/c1-10-6-13(9-16-2)18-14(17-10)8-11-4-3-5-12(15)7-11/h3-7,16H,8-9H2,1-2H3
InChIKeyDROJDBIDPINIAL-UHFFFAOYSA-N
XLogP2.86
TPSA37.81 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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(3-bromophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine
CID 62746332
N-[[2-[(3-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62745702
1-[4-bromo-6-(methylaminomethyl)-2-pyridinyl]-N-methylmethanamine
CID 70648411
N-[(3-bromophenyl)methyl]-N-methyl-4-(methylaminomethyl)-1,3-oxazol-2-amine
CID 113377727
2-[(3-bromophenyl)methyl]-4-chloro-6-methyl-5-propan-2-ylpyrimidine
CID 55185799
1-[2-[(3-bromophenyl)methyl]-1,3-oxazol-5-yl]-N-methylmethanamine
CID 115086713
N-[[6-methyl-2-(pyridin-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 55114430
2-[(3-bromophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66301314
4-N-[(3-bromophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 78983069
4-[(3-bromophenyl)methyl]-6-propan-2-yl-1,3,5-triazin-2-amine
CID 55251813
1-(3-bromophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62798989
1-[2-(2-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]-N-methylmethanamine
CID 114015474

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-bromophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(3-bromophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine (CID 62741909) is 1-[2-[(3-bromophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(3-bromophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(3-bromophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine is CNCc1cc(C)nc(Cc2cccc(Br)c2)n1.
What is the InChIKey of 1-[2-[(3-bromophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine?
The InChIKey is DROJDBIDPINIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-10-6-13(9-16-2)18-14(17-10)8-11-4-3-5-12(15)7-11/h3-7,16H,8-9H2,1-2H3.
What are the key properties of 1-[2-[(3-bromophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine?
1-[2-[(3-bromophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine has a molecular weight of 306.21 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-bromophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 62741909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).