5-bromo-2-(4-bromo-2-methylphenyl)-N,6-diethylpyrimidin-4-amine

C15H17Br2N3 — CID 103083799

IUPAC5-bromo-2-(4-bromo-2-methylphenyl)-N,6-diethylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(Br)cc2C)nc(CC)c1Br
InChIInChI=1S/C15H17Br2N3/c1-4-12-13(17)15(18-5-2)20-14(19-12)11-7-6-10(16)8-9(11)3/h6-8H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyRMTBUDQPKDJTHF-UHFFFAOYSA-N
MW399.13 g/mol
LogP4.97
Rot. Bonds4

About 5-bromo-2-(4-bromo-2-methylphenyl)-N,6-diethylpyrimidin-4-amine

5-bromo-2-(4-bromo-2-methylphenyl)-N,6-diethylpyrimidin-4-amine (PubChem CID 103083799) has the molecular formula C15H17Br2N3 and a molecular weight of 399.13 g/mol. Its IUPAC name is 5-bromo-2-(4-bromo-2-methylphenyl)-N,6-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(4-bromo-2-methylphenyl)-N,6-diethylpyrimidin-4-amine
PubChem CID103083799
Molecular FormulaC15H17Br2N3
Molecular Weight399.13 g/mol
Exact Mass396.98
IUPAC Name5-bromo-2-(4-bromo-2-methylphenyl)-N,6-diethylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(Br)cc2C)nc(CC)c1Br
InChIInChI=1S/C15H17Br2N3/c1-4-12-13(17)15(18-5-2)20-14(19-12)11-7-6-10(16)8-9(11)3/h6-8H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyRMTBUDQPKDJTHF-UHFFFAOYSA-N
XLogP4.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.13
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(4-bromo-2-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 103083781
5-bromo-N,6-diethyl-2-(2-methylphenyl)pyrimidin-4-amine
CID 66299061
5-bromo-2-(3-bromophenyl)-N,6-diethylpyrimidin-4-amine
CID 66299451
5-bromo-N,6-diethyl-2-(2-ethylphenyl)pyrimidin-4-amine
CID 66297721
5-bromo-2-(3,5-dimethylphenyl)-N,6-diethylpyrimidin-4-amine
CID 66295796
2-(2,4-dimethylphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66297158
5-bromo-N,6-diethyl-2-phenylpyrimidin-4-amine
CID 66301217
5-bromo-2-(4-bromo-2-methylphenyl)-6-propylpyrimidin-4-amine
CID 103083787
2-(4-bromo-2-methylphenyl)-6-tert-butyl-N-ethylpyrimidin-4-amine
CID 103083746
5-bromo-2-(3-chlorophenyl)-N,6-diethylpyrimidin-4-amine
CID 66300037
2-(4-bromo-2-methylphenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 103083750
5-bromo-N,6-diethyl-2-(3-fluorophenyl)pyrimidin-4-amine
CID 66299647

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-bromo-2-methylphenyl)-N,6-diethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(4-bromo-2-methylphenyl)-N,6-diethylpyrimidin-4-amine (CID 103083799) is 5-bromo-2-(4-bromo-2-methylphenyl)-N,6-diethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(4-bromo-2-methylphenyl)-N,6-diethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(4-bromo-2-methylphenyl)-N,6-diethylpyrimidin-4-amine is CCNc1nc(-c2ccc(Br)cc2C)nc(CC)c1Br.
What is the InChIKey of 5-bromo-2-(4-bromo-2-methylphenyl)-N,6-diethylpyrimidin-4-amine?
The InChIKey is RMTBUDQPKDJTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2N3/c1-4-12-13(17)15(18-5-2)20-14(19-12)11-7-6-10(16)8-9(11)3/h6-8H,4-5H2,1-3H3,(H,18,19,20).
What are the key properties of 5-bromo-2-(4-bromo-2-methylphenyl)-N,6-diethylpyrimidin-4-amine?
5-bromo-2-(4-bromo-2-methylphenyl)-N,6-diethylpyrimidin-4-amine has a molecular weight of 399.13 g/mol, XLogP of 4.97, 4 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,6-diethylpyrimidin-4-amine is sourced from PubChem (CID 103083799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).