5-bromo-2-(4-bromo-3,5-dimethylphenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine

C16H17Br2N3 — CID 114331016

IUPAC5-bromo-2-(4-bromo-3,5-dimethylphenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2cc(C)c(Br)c(C)c2)nc(C2CC2)c1Br
InChIInChI=1S/C16H17Br2N3/c1-8-6-11(7-9(2)12(8)17)15-20-14(10-4-5-10)13(18)16(19-3)21-15/h6-7,10H,4-5H2,1-3H3,(H,19,20,21)
InChIKeyLXCANCJHHOODGX-UHFFFAOYSA-N
MW411.14 g/mol
LogP5.20
Rot. Bonds3

About 5-bromo-2-(4-bromo-3,5-dimethylphenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine

5-bromo-2-(4-bromo-3,5-dimethylphenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine (PubChem CID 114331016) has the molecular formula C16H17Br2N3 and a molecular weight of 411.14 g/mol. Its IUPAC name is 5-bromo-2-(4-bromo-3,5-dimethylphenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(4-bromo-3,5-dimethylphenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine
PubChem CID114331016
Molecular FormulaC16H17Br2N3
Molecular Weight411.14 g/mol
Exact Mass408.98
IUPAC Name5-bromo-2-(4-bromo-3,5-dimethylphenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2cc(C)c(Br)c(C)c2)nc(C2CC2)c1Br
InChIInChI=1S/C16H17Br2N3/c1-8-6-11(7-9(2)12(8)17)15-20-14(10-4-5-10)13(18)16(19-3)21-15/h6-7,10H,4-5H2,1-3H3,(H,19,20,21)
InChIKeyLXCANCJHHOODGX-UHFFFAOYSA-N
XLogP5.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.14
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-cyclopropyl-N-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 66296102
5-bromo-6-cyclopropyl-2-(4-fluorophenyl)-N-methylpyrimidin-4-amine
CID 66304168
5-bromo-6-cyclopropyl-N-methyl-2-(2-methylphenyl)pyrimidin-4-amine
CID 66304583
2-(1,3-benzodioxol-5-yl)-5-bromo-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 66297835
5-bromo-6-cyclopropyl-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 66302950
5-bromo-6-cyclopropyl-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 66301926
5-bromo-6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-N-ethylpyrimidin-4-amine
CID 107504375
5-[5-bromo-4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol
CID 66295717
5-bromo-2-(3-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 115381230
5-bromo-2-(3-bromo-4-methylphenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
CID 105410496
6-cyclopropyl-5-iodo-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine
CID 66302773
5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 107125379

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-bromo-3,5-dimethylphenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(4-bromo-3,5-dimethylphenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine (CID 114331016) is 5-bromo-2-(4-bromo-3,5-dimethylphenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(4-bromo-3,5-dimethylphenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(4-bromo-3,5-dimethylphenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine is CNc1nc(-c2cc(C)c(Br)c(C)c2)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-2-(4-bromo-3,5-dimethylphenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine?
The InChIKey is LXCANCJHHOODGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2N3/c1-8-6-11(7-9(2)12(8)17)15-20-14(10-4-5-10)13(18)16(19-3)21-15/h6-7,10H,4-5H2,1-3H3,(H,19,20,21).
What are the key properties of 5-bromo-2-(4-bromo-3,5-dimethylphenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine?
5-bromo-2-(4-bromo-3,5-dimethylphenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine has a molecular weight of 411.14 g/mol, XLogP of 5.20, 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-3,5-dimethylphenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 114331016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).