N-[[2-(2-bromophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine

C16H20BrN3 — CID 62746192

IUPACN-[[2-(2-bromophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(-c2ccccc2Br)nc(C)c1CNC(C)C
InChIInChI=1S/C16H20BrN3/c1-10(2)18-9-14-11(3)19-16(20-12(14)4)13-7-5-6-8-15(13)17/h5-8,10,18H,9H2,1-4H3
InChIKeyDGYWQSGXYPBJQX-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.02
Rot. Bonds4

About N-[[2-(2-bromophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine

N-[[2-(2-bromophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 62746192) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[[2-(2-bromophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-bromophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
PubChem CID62746192
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC NameN-[[2-(2-bromophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(-c2ccccc2Br)nc(C)c1CNC(C)C
InChIInChI=1S/C16H20BrN3/c1-10(2)18-9-14-11(3)19-16(20-12(14)4)13-7-5-6-8-15(13)17/h5-8,10,18H,9H2,1-4H3
InChIKeyDGYWQSGXYPBJQX-UHFFFAOYSA-N
XLogP4.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-bromophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-bromophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine (CID 62746192) is N-[[2-(2-bromophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-bromophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-bromophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine is Cc1nc(-c2ccccc2Br)nc(C)c1CNC(C)C.
What is the InChIKey of N-[[2-(2-bromophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is DGYWQSGXYPBJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-10(2)18-9-14-11(3)19-16(20-12(14)4)13-7-5-6-8-15(13)17/h5-8,10,18H,9H2,1-4H3.
What are the key properties of N-[[2-(2-bromophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine?
N-[[2-(2-bromophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 334.26 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-bromophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 62746192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).