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

C14H15Br2N3 — CID 103083781

IUPAC5-bromo-2-(4-bromo-2-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(Br)cc2C)nc(C)c1Br
InChIInChI=1S/C14H15Br2N3/c1-4-17-14-12(16)9(3)18-13(19-14)11-6-5-10(15)7-8(11)2/h5-7H,4H2,1-3H3,(H,17,18,19)
InChIKeyKDDPRXMPZZODGD-UHFFFAOYSA-N
MW385.10 g/mol
LogP4.72
Rot. Bonds3

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

5-bromo-2-(4-bromo-2-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine (PubChem CID 103083781) has the molecular formula C14H15Br2N3 and a molecular weight of 385.10 g/mol. Its IUPAC name is 5-bromo-2-(4-bromo-2-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(4-bromo-2-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
PubChem CID103083781
Molecular FormulaC14H15Br2N3
Molecular Weight385.10 g/mol
Exact Mass382.96
IUPAC Name5-bromo-2-(4-bromo-2-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(Br)cc2C)nc(C)c1Br
InChIInChI=1S/C14H15Br2N3/c1-4-17-14-12(16)9(3)18-13(19-14)11-6-5-10(15)7-8(11)2/h5-7H,4H2,1-3H3,(H,17,18,19)
InChIKeyKDDPRXMPZZODGD-UHFFFAOYSA-N
XLogP4.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.10
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(4-bromo-2-methylphenyl)-N,6-diethylpyrimidin-4-amine
CID 103083799
5-bromo-N-ethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine
CID 66306280
5-bromo-2-(2,3-dimethylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 66297457
2-(4-bromo-2-methylphenyl)-6-tert-butyl-N-ethylpyrimidin-4-amine
CID 103083746
5-bromo-2-(2,5-dimethoxyphenyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 66302187
5-bromo-2-(2,4-dimethylphenyl)-N,6-dimethylpyrimidin-4-amine
CID 66302387
N-ethyl-2-(4-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine
CID 81278021
2-(4-bromo-2-methylphenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 103083750
5-bromo-N-ethyl-2-[2-(methoxymethyl)phenyl]-6-methylpyrimidin-4-amine
CID 66297841
5-bromo-N-ethyl-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine
CID 66305081
5-bromo-2-(4-bromo-2-methylphenyl)-6-propylpyrimidin-4-amine
CID 103083787
5-bromo-N-ethyl-2-(furan-3-yl)-6-methylpyrimidin-4-amine
CID 66306676

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-bromo-2-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(4-bromo-2-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine (CID 103083781) is 5-bromo-2-(4-bromo-2-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(4-bromo-2-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(4-bromo-2-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine is CCNc1nc(-c2ccc(Br)cc2C)nc(C)c1Br.
What is the InChIKey of 5-bromo-2-(4-bromo-2-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine?
The InChIKey is KDDPRXMPZZODGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2N3/c1-4-17-14-12(16)9(3)18-13(19-14)11-6-5-10(15)7-8(11)2/h5-7H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 5-bromo-2-(4-bromo-2-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine?
5-bromo-2-(4-bromo-2-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine has a molecular weight of 385.10 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-bromo-2-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 103083781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).