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

C14H16BrN3 — CID 115503725

IUPAC6-(2-bromophenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(-c2ccccc2Br)nc(C(C)C)n1
InChIInChI=1S/C14H16BrN3/c1-9(2)14-17-12(8-13(16-3)18-14)10-6-4-5-7-11(10)15/h4-9H,1-3H3,(H,16,17,18)
InChIKeyBCCZGPXRBKQNCW-UHFFFAOYSA-N
MW306.21 g/mol
LogP4.07
Rot. Bonds3

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

6-(2-bromophenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 115503725) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 6-(2-bromophenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-bromophenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID115503725
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name6-(2-bromophenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(-c2ccccc2Br)nc(C(C)C)n1
InChIInChI=1S/C14H16BrN3/c1-9(2)14-17-12(8-13(16-3)18-14)10-6-4-5-7-11(10)15/h4-9H,1-3H3,(H,16,17,18)
InChIKeyBCCZGPXRBKQNCW-UHFFFAOYSA-N
XLogP4.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-isoquinolin-8-yl-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 103144239
6-(furan-2-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80952634
N-methyl-2-propan-2-yl-6-thiophen-2-ylpyrimidin-4-amine
CID 80952028
6-(2-bromophenyl)-N-methylpyrazin-2-amine
CID 115503726
N-methyl-6-[3-(2-methylpropyl)phenyl]-2-propan-2-ylpyrimidin-4-amine
CID 116546243
6-N-methyl-4-N-(1-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956022
4-N-[(4-bromophenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956053
4-(2-bromophenyl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 63867300
6-(4-ethoxyphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80952608
6-(3-fluoro-5-methylphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80952716
2-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]-3-methylbutanenitrile
CID 116896585
2-[(2-bromophenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 62830386

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromophenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(2-bromophenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine (CID 115503725) is 6-(2-bromophenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-bromophenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(2-bromophenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine is CNc1cc(-c2ccccc2Br)nc(C(C)C)n1.
What is the InChIKey of 6-(2-bromophenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is BCCZGPXRBKQNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-9(2)14-17-12(8-13(16-3)18-14)10-6-4-5-7-11(10)15/h4-9H,1-3H3,(H,16,17,18).
What are the key properties of 6-(2-bromophenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine?
6-(2-bromophenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 306.21 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromophenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 115503725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).