2-[(2-bromophenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine

C15H18BrN3 — CID 62830386

IUPAC2-[(2-bromophenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(C(C)C)nc(Cc2ccccc2Br)n1
InChIInChI=1S/C15H18BrN3/c1-10(2)13-9-14(17-3)19-15(18-13)8-11-6-4-5-7-12(11)16/h4-7,9-10H,8H2,1-3H3,(H,17,18,19)
InChIKeyFPULQUVJHHJFMQ-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.99
Rot. Bonds4

About 2-[(2-bromophenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine

2-[(2-bromophenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 62830386) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID62830386
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name2-[(2-bromophenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(C(C)C)nc(Cc2ccccc2Br)n1
InChIInChI=1S/C15H18BrN3/c1-10(2)13-9-14(17-3)19-15(18-13)8-11-6-4-5-7-12(11)16/h4-7,9-10H,8H2,1-3H3,(H,17,18,19)
InChIKeyFPULQUVJHHJFMQ-UHFFFAOYSA-N
XLogP3.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2-methylphenyl)methyl]-6-propan-2-ylpyrimidin-4-yl]hydrazine
CID 62252014
2-ethyl-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 62192702
2-[(2-fluorophenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63485417
2-[(2-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 62192800
N-methyl-2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 62474014
N-methyl-2-(2-methylpropylsulfanylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 65137505
N,6-dimethyl-2-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 55135005
2-benzyl-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63485421
[2-(1H-benzimidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
CID 63639806
1-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 115078997
6-(2-bromophenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 115503725
2-benzyl-6-propan-2-ylpyrimidin-4-amine
CID 62192798

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-[(2-bromophenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine (CID 62830386) is 2-[(2-bromophenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine is CNc1cc(C(C)C)nc(Cc2ccccc2Br)n1.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is FPULQUVJHHJFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-10(2)13-9-14(17-3)19-15(18-13)8-11-6-4-5-7-12(11)16/h4-7,9-10H,8H2,1-3H3,(H,17,18,19).
What are the key properties of 2-[(2-bromophenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine?
2-[(2-bromophenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 320.23 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 62830386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).