5-bromo-N-ethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine

C14H16BrN3 — CID 66306280

IUPAC5-bromo-N-ethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ccccc2C)nc(C)c1Br
InChIInChI=1S/C14H16BrN3/c1-4-16-14-12(15)10(3)17-13(18-14)11-8-6-5-7-9(11)2/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyFALRDZNZKYUIQS-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.95
Rot. Bonds3

About 5-bromo-N-ethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine

5-bromo-N-ethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine (PubChem CID 66306280) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 5-bromo-N-ethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine
PubChem CID66306280
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name5-bromo-N-ethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ccccc2C)nc(C)c1Br
InChIInChI=1S/C14H16BrN3/c1-4-16-14-12(15)10(3)17-13(18-14)11-8-6-5-7-9(11)2/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyFALRDZNZKYUIQS-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(2,3-dimethylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 66297457
5-bromo-N,6-diethyl-2-(2-methylphenyl)pyrimidin-4-amine
CID 66299061
5-bromo-2-(4-bromo-2-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 103083781
N,5-diethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine
CID 62191964
5-bromo-N-ethyl-2-[2-(methoxymethyl)phenyl]-6-methylpyrimidin-4-amine
CID 66297841
5-bromo-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine
CID 66306257
2-(2-bromophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 55219975
N-ethyl-5,6-dimethyl-2-naphthalen-1-ylpyrimidin-4-amine
CID 63486132
5-bromo-2-(2,5-dimethoxyphenyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 66302187
5-bromo-2-(2-ethoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66296687
5-bromo-N-ethyl-2-(furan-3-yl)-6-methylpyrimidin-4-amine
CID 66306676
5-bromo-N-ethyl-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine
CID 66305081

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine (CID 66306280) is 5-bromo-N-ethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine is CCNc1nc(-c2ccccc2C)nc(C)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine?
The InChIKey is FALRDZNZKYUIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-4-16-14-12(15)10(3)17-13(18-14)11-8-6-5-7-9(11)2/h5-8H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 5-bromo-N-ethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine?
5-bromo-N-ethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine has a molecular weight of 306.21 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 66306280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).