5-bromo-2-(3-bromo-4-methylphenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine

C16H17Br2N3 — CID 105410496

IUPAC5-bromo-2-(3-bromo-4-methylphenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(C)c(Br)c2)nc(C2CC2)c1Br
InChIInChI=1S/C16H17Br2N3/c1-3-19-16-13(18)14(10-6-7-10)20-15(21-16)11-5-4-9(2)12(17)8-11/h4-5,8,10H,3,6-7H2,1-2H3,(H,19,20,21)
InChIKeyQHAWIQGVFDJFPI-UHFFFAOYSA-N
MW411.14 g/mol
LogP5.29
Rot. Bonds4

About 5-bromo-2-(3-bromo-4-methylphenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine

5-bromo-2-(3-bromo-4-methylphenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine (PubChem CID 105410496) has the molecular formula C16H17Br2N3 and a molecular weight of 411.14 g/mol. Its IUPAC name is 5-bromo-2-(3-bromo-4-methylphenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3-bromo-4-methylphenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
PubChem CID105410496
Molecular FormulaC16H17Br2N3
Molecular Weight411.14 g/mol
Exact Mass408.98
IUPAC Name5-bromo-2-(3-bromo-4-methylphenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(C)c(Br)c2)nc(C2CC2)c1Br
InChIInChI=1S/C16H17Br2N3/c1-3-19-16-13(18)14(10-6-7-10)20-15(21-16)11-5-4-9(2)12(17)8-11/h4-5,8,10H,3,6-7H2,1-2H3,(H,19,20,21)
InChIKeyQHAWIQGVFDJFPI-UHFFFAOYSA-N
XLogP5.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.14
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-cyclopropyl-N-ethyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
CID 66302548
5-bromo-6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-N-ethylpyrimidin-4-amine
CID 107504375
3-[5-bromo-4-cyclopropyl-6-(ethylamino)pyrimidin-2-yl]phenol
CID 66295900
5-bromo-6-cyclopropyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine
CID 66295910
5-bromo-2-(3-cyclopropylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 79980369
5-bromo-2-(2-chlorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
CID 66303166
5-bromo-6-cyclopropyl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 66303575
5-bromo-6-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethylpyrimidin-4-amine
CID 66295909
5-bromo-2-(4-bromo-3,5-dimethylphenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 114331016
3-(3-bromo-4-methylphenyl)-5-cyclopropyl-1H-1,2,4-triazole
CID 81471748
5-bromo-2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 102844082
5-bromo-6-cyclopropyl-2-(4-fluorophenyl)-N-methylpyrimidin-4-amine
CID 66304168

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-bromo-4-methylphenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3-bromo-4-methylphenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine (CID 105410496) is 5-bromo-2-(3-bromo-4-methylphenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3-bromo-4-methylphenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3-bromo-4-methylphenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine is CCNc1nc(-c2ccc(C)c(Br)c2)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-2-(3-bromo-4-methylphenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine?
The InChIKey is QHAWIQGVFDJFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2N3/c1-3-19-16-13(18)14(10-6-7-10)20-15(21-16)11-5-4-9(2)12(17)8-11/h4-5,8,10H,3,6-7H2,1-2H3,(H,19,20,21).
What are the key properties of 5-bromo-2-(3-bromo-4-methylphenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine?
5-bromo-2-(3-bromo-4-methylphenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine has a molecular weight of 411.14 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-bromo-4-methylphenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 105410496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).